N-benzyl-1H-indole-2-carboxamide;N-[(4-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide;N-[cyclopropyl(phenyl)methyl]-4-fluoro-1H-indole-2-carboxamide;5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[1-(5-methylfuran-2-yl)ethyl]-1H-indole-2-carboxamide

C99H87Cl2F2N13O7 — CID 157382807

IUPACN-benzyl-1H-indole-2-carboxamide;N-[(4-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide;N-[cyclopropyl(phenyl)methyl]-4-fluoro-1H-indole-2-carboxamide;5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[1-(5-methylfuran-2-yl)ethyl]-1H-indole-2-carboxamide
SMILESCC(NC(=O)c1cc2cc(F)ccc2[nH]1)c1ccccc1.Cc1ccc(C(C)NC(=O)c2cc3ccccc3[nH]2)o1.O=C(NC(c1ccccc1)C1CC1)c1cc2c(F)cccc2[nH]1.O=C(NCc1ccc(Cl)cc1)c1cc2ccccc2[nH]1.O=C(NCc1ccccc1)c1cc2ccccc2[nH]1.O=C(NCc1ccncc1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C19H17FN2O.C17H15FN2O.C16H13ClN2O.C16H16N2O2.C16H14N2O.C15H12ClN3O/c20-15-7-4-8-16-14(15)11-17(21-16)19(23)22-18(13-9-10-13)12-5-2-1-3-6-12;1-11(12-5-3-2-4-6-12)19-17(21)16-10-13-9-14(18)7-8-15(13)20-16;17-13-7-5-11(6-8-13)10-18-16(20)15-9-12-3-1-2-4-14(12)19-15;1-10-7-8-15(20-10)11(2)17-16(19)14-9-12-5-3-4-6-13(12)18-14;19-16(17-11-12-6-2-1-3-7-12)15-10-13-8-4-5-9-14(13)18-15;16-12-1-2-13-11(7-12)8-14(19-13)15(20)18-9-10-3-5-17-6-4-10/h1-8,11,13,18,21H,9-10H2,(H,22,23);2-11,20H,1H3,(H,19,21);1-9,19H,10H2,(H,18,20);3-9,11,18H,1-2H3,(H,17,19);1-10,18H,11H2,(H,17,19);1-8,19H,9H2,(H,18,20)
InChIKeyBLBWJVUVBZAURN-UHFFFAOYSA-N
MW1679.77 g/mol
LogP21.54
Rot. Bonds19

About N-benzyl-1H-indole-2-carboxamide;N-[(4-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide;N-[cyclopropyl(phenyl)methyl]-4-fluoro-1H-indole-2-carboxamide;5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[1-(5-methylfuran-2-yl)ethyl]-1H-indole-2-carboxamide

N-benzyl-1H-indole-2-carboxamide;N-[(4-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide;N-[cyclopropyl(phenyl)methyl]-4-fluoro-1H-indole-2-carboxamide;5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[1-(5-methylfuran-2-yl)ethyl]-1H-indole-2-carboxamide (PubChem CID 157382807) has the molecular formula C99H87Cl2F2N13O7 and a molecular weight of 1679.77 g/mol. Its IUPAC name is N-benzyl-1H-indole-2-carboxamide;N-[(4-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide;N-[cyclopropyl(phenyl)methyl]-4-fluoro-1H-indole-2-carboxamide;5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[1-(5-methylfuran-2-yl)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-1H-indole-2-carboxamide;N-[(4-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide;N-[cyclopropyl(phenyl)methyl]-4-fluoro-1H-indole-2-carboxamide;5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[1-(5-methylfuran-2-yl)ethyl]-1H-indole-2-carboxamide
PubChem CID157382807
Molecular FormulaC99H87Cl2F2N13O7
Molecular Weight1679.77 g/mol
Exact Mass1677.62
IUPAC NameN-benzyl-1H-indole-2-carboxamide;N-[(4-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide;N-[cyclopropyl(phenyl)methyl]-4-fluoro-1H-indole-2-carboxamide;5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[1-(5-methylfuran-2-yl)ethyl]-1H-indole-2-carboxamide
SMILESCC(NC(=O)c1cc2cc(F)ccc2[nH]1)c1ccccc1.Cc1ccc(C(C)NC(=O)c2cc3ccccc3[nH]2)o1.O=C(NC(c1ccccc1)C1CC1)c1cc2c(F)cccc2[nH]1.O=C(NCc1ccc(Cl)cc1)c1cc2ccccc2[nH]1.O=C(NCc1ccccc1)c1cc2ccccc2[nH]1.O=C(NCc1ccncc1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C19H17FN2O.C17H15FN2O.C16H13ClN2O.C16H16N2O2.C16H14N2O.C15H12ClN3O/c20-15-7-4-8-16-14(15)11-17(21-16)19(23)22-18(13-9-10-13)12-5-2-1-3-6-12;1-11(12-5-3-2-4-6-12)19-17(21)16-10-13-9-14(18)7-8-15(13)20-16;17-13-7-5-11(6-8-13)10-18-16(20)15-9-12-3-1-2-4-14(12)19-15;1-10-7-8-15(20-10)11(2)17-16(19)14-9-12-5-3-4-6-13(12)18-14;19-16(17-11-12-6-2-1-3-7-12)15-10-13-8-4-5-9-14(13)18-15;16-12-1-2-13-11(7-12)8-14(19-13)15(20)18-9-10-3-5-17-6-4-10/h1-8,11,13,18,21H,9-10H2,(H,22,23);2-11,20H,1H3,(H,19,21);1-9,19H,10H2,(H,18,20);3-9,11,18H,1-2H3,(H,17,19);1-10,18H,11H2,(H,17,19);1-8,19H,9H2,(H,18,20)
InChIKeyBLBWJVUVBZAURN-UHFFFAOYSA-N
XLogP21.54
TPSA295.37 Ų
H-Bond Donors12
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001679.77
LogP ≤ 521.54
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 108

Analyze N-benzyl-1H-indole-2-carboxamide;N-[(4-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide;N-[cyclopropyl(phenyl)methyl]-4-fluoro-1H-indole-2-carboxamide;5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[1-(5-methylfuran-2-yl)ethyl]-1H-indole-2-carboxamide with MolForge

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Related Compounds

[(2S)-2-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]pyrrolidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone
CID 68190104
4-[3-chloro-5-[2-fluoro-5-[4-(4-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazol-5-yl]phenyl]phenyl]-5-[3-chloro-5-[3-[2-[3-(1H-indol-3-yl)propyl]-5-(3-methoxyphenyl)-1,3-oxazol-4-yl]-5-methoxyphenyl]phenyl]-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole
CID 126495200
4-[3-chloro-5-[2-fluoro-5-[4-(4-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazol-5-yl]phenyl]phenyl]-5-(3-chlorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole
CID 126495244
5-chloro-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[cyclopropyl-(4-methoxyphenyl)methyl]-1H-indole-2-carboxamide;N-[1-(3-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide;5-methyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide;5-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1H-indole-2-carboxamide
CID 157497105
N-[1-(4-chlorophenyl)ethyl]-1H-indole-2-carboxamide;N-[cyclopropyl-(4-methoxyphenyl)methyl]-1H-indole-2-carboxamide;N-[(1,5-dimethylpyrrol-2-yl)methyl]-4,6-dimethyl-1H-indole-2-carboxamide;N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1H-indole-2-carboxamide
CID 159665508
N-[1-(1-acetylpiperidin-4-yl)cyclopropyl]-5-chloro-1H-indole-2-carboxamide;(3S)-1-(6-methoxy-1H-indol-2-yl)-3-phenylbutan-1-one;N-[1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide;N-(1-phenylcyclopropyl)-5-(trifluoromethyl)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide
CID 159852247
N-[1-(4-chlorophenyl)ethyl]-1H-indole-2-carboxamide;N-[cyclopropyl-(4-methoxyphenyl)methyl]-1H-indole-2-carboxamide;4,5-dichloro-N-(1-pyridin-3-ylethyl)-1H-indole-2-carboxamide;N-[(1,5-dimethylpyrrol-2-yl)methyl]-4,6-dimethyl-1H-indole-2-carboxamide;N-[1-(3-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide;N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1H-indole-2-carboxamide
CID 159907066
5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopentyl]-1H-indole-2-carboxamide;5-chloro-N-(1-phenylcyclopropyl)-2,3-dihydro-1H-indole-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide;N-(1-phenylcyclopropyl)-5-(trifluoromethoxy)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide
CID 161187711
5-chloro-N-[1-[4-[2-(dimethylamino)ethoxy]phenyl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(2-methoxyethoxy)phenyl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-(2-methyl-1-phenylpropyl)-1H-indole-2-carboxamide;5-chloro-N-(1-phenylpropyl)-1H-indole-2-carboxamide;(3S)-1-(6-methoxy-1H-indol-2-yl)-3-phenylbutan-1-one;5-N-methyl-2-N-(1-phenylethyl)-1H-indole-2,5-dicarboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide
CID 161369133
5-chloro-N-[1-(4-chlorophenyl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(4-methoxyphenyl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-chloro-N-[1-(1-phenylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(1-pyridin-2-ylcyclopropyl)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide;N-(1-pyridin-2-ylcyclopropyl)-5-(trifluoromethyl)-1H-indole-2-carboxamide
CID 161882862
(2S,5S)-1-[(2S)-2-[(3-acetyl-5-chloro-2-methylindol-1-yl)methyl]pyrrolidin-1-yl]-2-cyclohexyl-5-(methylamino)hexane-1,4-dione;(2S,5S)-1-[(2S)-2-[[3-acetyl-5-(trifluoromethoxy)indol-1-yl]methyl]pyrrolidin-1-yl]-2-cyclohexyl-5-(methylamino)hexane-1,4-dione;(2S,5S)-1-[(2S)-2-[[5-chloro-3-(2-methylpropanoyl)indol-1-yl]methyl]pyrrolidin-1-yl]-2-cyclohexyl-5-(methylamino)hexane-1,4-dione
CID 165103417
5-chloro-N-[(4-fluorophenyl)methyl]-1H-indole-2-carboxamide;N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-fluoro-N-[(4-methoxyphenyl)methyl]-1H-indole-2-carboxamide;N-[(4-fluorophenyl)methyl]-5-methyl-1H-indole-2-carboxamide;5-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide
CID 157079970

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1H-indole-2-carboxamide;N-[(4-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide;N-[cyclopropyl(phenyl)methyl]-4-fluoro-1H-indole-2-carboxamide;5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[1-(5-methylfuran-2-yl)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of N-benzyl-1H-indole-2-carboxamide;N-[(4-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide;N-[cyclopropyl(phenyl)methyl]-4-fluoro-1H-indole-2-carboxamide;5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[1-(5-methylfuran-2-yl)ethyl]-1H-indole-2-carboxamide (CID 157382807) is N-benzyl-1H-indole-2-carboxamide;N-[(4-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide;N-[cyclopropyl(phenyl)methyl]-4-fluoro-1H-indole-2-carboxamide;5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[1-(5-methylfuran-2-yl)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-benzyl-1H-indole-2-carboxamide;N-[(4-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide;N-[cyclopropyl(phenyl)methyl]-4-fluoro-1H-indole-2-carboxamide;5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[1-(5-methylfuran-2-yl)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-benzyl-1H-indole-2-carboxamide;N-[(4-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide;N-[cyclopropyl(phenyl)methyl]-4-fluoro-1H-indole-2-carboxamide;5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[1-(5-methylfuran-2-yl)ethyl]-1H-indole-2-carboxamide is CC(NC(=O)c1cc2cc(F)ccc2[nH]1)c1ccccc1.Cc1ccc(C(C)NC(=O)c2cc3ccccc3[nH]2)o1.O=C(NC(c1ccccc1)C1CC1)c1cc2c(F)cccc2[nH]1.O=C(NCc1ccc(Cl)cc1)c1cc2ccccc2[nH]1.O=C(NCc1ccccc1)c1cc2ccccc2[nH]1.O=C(NCc1ccncc1)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of N-benzyl-1H-indole-2-carboxamide;N-[(4-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide;N-[cyclopropyl(phenyl)methyl]-4-fluoro-1H-indole-2-carboxamide;5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[1-(5-methylfuran-2-yl)ethyl]-1H-indole-2-carboxamide?
The InChIKey is BLBWJVUVBZAURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O.C17H15FN2O.C16H13ClN2O.C16H16N2O2.C16H14N2O.C15H12ClN3O/c20-15-7-4-8-16-14(15)11-17(21-16)19(23)22-18(13-9-10-13)12-5-2-1-3-6-12;1-11(12-5-3-2-4-6-12)19-17(21)16-10-13-9-14(18)7-8-15(13)20-16;17-13-7-5-11(6-8-13)10-18-16(20)15-9-12-3-1-2-4-14(12)19-15;1-10-7-8-15(20-10)11(2)17-16(19)14-9-12-5-3-4-6-13(12)18-14;19-16(17-11-12-6-2-1-3-7-12)15-10-13-8-4-5-9-14(13)18-15;16-12-1-2-13-11(7-12)8-14(19-13)15(20)18-9-10-3-5-17-6-4-10/h1-8,11,13,18,21H,9-10H2,(H,22,23);2-11,20H,1H3,(H,19,21);1-9,19H,10H2,(H,18,20);3-9,11,18H,1-2H3,(H,17,19);1-10,18H,11H2,(H,17,19);1-8,19H,9H2,(H,18,20).
What are the key properties of N-benzyl-1H-indole-2-carboxamide;N-[(4-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide;N-[cyclopropyl(phenyl)methyl]-4-fluoro-1H-indole-2-carboxamide;5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[1-(5-methylfuran-2-yl)ethyl]-1H-indole-2-carboxamide?
N-benzyl-1H-indole-2-carboxamide;N-[(4-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide;N-[cyclopropyl(phenyl)methyl]-4-fluoro-1H-indole-2-carboxamide;5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[1-(5-methylfuran-2-yl)ethyl]-1H-indole-2-carboxamide has a molecular weight of 1679.77 g/mol, XLogP of 21.54, 19 rotatable bonds, 12 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1H-indole-2-carboxamide;N-[(4-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide;N-[cyclopropyl(phenyl)methyl]-4-fluoro-1H-indole-2-carboxamide;5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[1-(5-methylfuran-2-yl)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 157382807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).