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

C84H73Cl2F3N10O6 — CID 157079970

IUPAC5-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
SMILESCOc1ccc(CNC(=O)c2cc3cc(F)ccc3[nH]2)cc1.Cc1ccc2[nH]c(C(=O)NC(C)c3ccccc3)cc2c1.Cc1ccc2[nH]c(C(=O)NCc3ccc(F)cc3)cc2c1.O=C(NCc1ccc(F)cc1)c1cc2cc(Cl)ccc2[nH]1.O=C(NCc1cccc(Cl)c1)c1cc2ccccc2[nH]1
InChIInChI=1S/C18H18N2O.C17H15FN2O2.C17H15FN2O.C16H12ClFN2O.C16H13ClN2O/c1-12-8-9-16-15(10-12)11-17(20-16)18(21)19-13(2)14-6-4-3-5-7-14;1-22-14-5-2-11(3-6-14)10-19-17(21)16-9-12-8-13(18)4-7-15(12)20-16;1-11-2-7-15-13(8-11)9-16(20-15)17(21)19-10-12-3-5-14(18)6-4-12;17-12-3-6-14-11(7-12)8-15(20-14)16(21)19-9-10-1-4-13(18)5-2-10;17-13-6-3-4-11(8-13)10-18-16(20)15-9-12-5-1-2-7-14(12)19-15/h3-11,13,20H,1-2H3,(H,19,21);2-9,20H,10H2,1H3,(H,19,21);2-9,20H,10H2,1H3,(H,19,21);1-8,20H,9H2,(H,19,21);1-9,19H,10H2,(H,18,20)
InChIKeyADKQCDDPDBNOJE-UHFFFAOYSA-N
MW1446.47 g/mol
LogP18.40
Rot. Bonds16

About 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

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 (PubChem CID 157079970) has the molecular formula C84H73Cl2F3N10O6 and a molecular weight of 1446.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID157079970
Molecular FormulaC84H73Cl2F3N10O6
Molecular Weight1446.47 g/mol
Exact Mass1444.50
IUPAC Name5-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
SMILESCOc1ccc(CNC(=O)c2cc3cc(F)ccc3[nH]2)cc1.Cc1ccc2[nH]c(C(=O)NC(C)c3ccccc3)cc2c1.Cc1ccc2[nH]c(C(=O)NCc3ccc(F)cc3)cc2c1.O=C(NCc1ccc(F)cc1)c1cc2cc(Cl)ccc2[nH]1.O=C(NCc1cccc(Cl)c1)c1cc2ccccc2[nH]1
InChIInChI=1S/C18H18N2O.C17H15FN2O2.C17H15FN2O.C16H12ClFN2O.C16H13ClN2O/c1-12-8-9-16-15(10-12)11-17(20-16)18(21)19-13(2)14-6-4-3-5-7-14;1-22-14-5-2-11(3-6-14)10-19-17(21)16-9-12-8-13(18)4-7-15(12)20-16;1-11-2-7-15-13(8-11)9-16(20-15)17(21)19-10-12-3-5-14(18)6-4-12;17-12-3-6-14-11(7-12)8-15(20-14)16(21)19-9-10-1-4-13(18)5-2-10;17-13-6-3-4-11(8-13)10-18-16(20)15-9-12-5-1-2-7-14(12)19-15/h3-11,13,20H,1-2H3,(H,19,21);2-9,20H,10H2,1H3,(H,19,21);2-9,20H,10H2,1H3,(H,19,21);1-8,20H,9H2,(H,19,21);1-9,19H,10H2,(H,18,20)
InChIKeyADKQCDDPDBNOJE-UHFFFAOYSA-N
XLogP18.40
TPSA233.68 Ų
H-Bond Donors10
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001446.47
LogP ≤ 518.40
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

N-[(3-chlorophenyl)methyl]-5-fluoro-1H-indole-2-carboxamide
CID 21014514
5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
CID 7323927
5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide
CID 4910187
5-ethyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1R)-1-phenylethyl]-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
CID 159279767
5-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
CID 7322417
N-benzyl-5-fluoro-1H-indole-2-carboxamide;ethane
CID 144936015
N-benzyl-5-fluoro-1H-indole-2-carboxamide;hydrochloride
CID 44666094
N-[1-(2,5-difluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide
CID 46588010
5-fluoro-N-[(1R)-1-(3-fluorophenyl)ethyl]-1H-indole-2-carboxamide
CID 25487390
5-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 111115526
5-chloro-N-(1-cyclohexylethyl)-1H-indole-2-carboxamide;5-chloro-N-[1-(4-methoxyphenyl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-(3-methylbutan-2-yl)-1H-indole-2-carboxamide;5-chloro-N-[(1R)-1-(4-methylphenyl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-(2-phenylpropan-2-yl)-1H-indole-2-carboxamide;5-chloro-N-propan-2-yl-1H-indole-2-carboxamide;4-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;7-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
CID 158999842
5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 46921201

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(CNC(=O)c2cc3cc(F)ccc3[nH]2)cc1.Cc1ccc2[nH]c(C(=O)NC(C)c3ccccc3)cc2c1.Cc1ccc2[nH]c(C(=O)NCc3ccc(F)cc3)cc2c1.O=C(NCc1ccc(F)cc1)c1cc2cc(Cl)ccc2[nH]1.O=C(NCc1cccc(Cl)c1)c1cc2ccccc2[nH]1.
What is the InChIKey of 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?
The InChIKey is ADKQCDDPDBNOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O.C17H15FN2O2.C17H15FN2O.C16H12ClFN2O.C16H13ClN2O/c1-12-8-9-16-15(10-12)11-17(20-16)18(21)19-13(2)14-6-4-3-5-7-14;1-22-14-5-2-11(3-6-14)10-19-17(21)16-9-12-8-13(18)4-7-15(12)20-16;1-11-2-7-15-13(8-11)9-16(20-15)17(21)19-10-12-3-5-14(18)6-4-12;17-12-3-6-14-11(7-12)8-15(20-14)16(21)19-9-10-1-4-13(18)5-2-10;17-13-6-3-4-11(8-13)10-18-16(20)15-9-12-5-1-2-7-14(12)19-15/h3-11,13,20H,1-2H3,(H,19,21);2-9,20H,10H2,1H3,(H,19,21);2-9,20H,10H2,1H3,(H,19,21);1-8,20H,9H2,(H,19,21);1-9,19H,10H2,(H,18,20).
What are the key properties of 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?
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 has a molecular weight of 1446.47 g/mol, XLogP of 18.40, 16 rotatable bonds, 10 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157079970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).