5-chloro-4-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;4-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide

C71H62ClF7N8O5 — CID 157282098

IUPAC5-chloro-4-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;4-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide
SMILESC[C@@H](NC(=O)c1cc2c(F)c(Cl)ccc2[nH]1)c1ccccc1.C[C@@H](NC(=O)c1cc2cc(C(F)(F)F)ccc2[nH]1)c1ccccc1.C[C@@H](NC(=O)c1cc2cc(OC(F)(F)F)ccc2[nH]1)c1ccccc1.Cc1cccc2[nH]c(C(=O)NC(C)c3ccccc3)cc12
InChIInChI=1S/C18H15F3N2O2.C18H15F3N2O.C18H18N2O.C17H14ClFN2O/c1-11(12-5-3-2-4-6-12)22-17(24)16-10-13-9-14(25-18(19,20)21)7-8-15(13)23-16;1-11(12-5-3-2-4-6-12)22-17(24)16-10-13-9-14(18(19,20)21)7-8-15(13)23-16;1-12-7-6-10-16-15(12)11-17(20-16)18(21)19-13(2)14-8-4-3-5-9-14;1-10(11-5-3-2-4-6-11)20-17(22)15-9-12-14(21-15)8-7-13(18)16(12)19/h2-11,23H,1H3,(H,22,24);2-11,23H,1H3,(H,22,24);3-11,13,20H,1-2H3,(H,19,21);2-10,21H,1H3,(H,20,22)/t2*11-;;10-/m11.1/s1
InChIKeyAZTZSKNIWOXNAW-BROQPBFCSA-N
MW1275.77 g/mol
LogP17.65
Rot. Bonds13

About 5-chloro-4-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;4-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide

5-chloro-4-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;4-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide (PubChem CID 157282098) has the molecular formula C71H62ClF7N8O5 and a molecular weight of 1275.77 g/mol. Its IUPAC name is 5-chloro-4-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;4-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-4-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;4-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide
PubChem CID157282098
Molecular FormulaC71H62ClF7N8O5
Molecular Weight1275.77 g/mol
Exact Mass1274.44
IUPAC Name5-chloro-4-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;4-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide
SMILESC[C@@H](NC(=O)c1cc2c(F)c(Cl)ccc2[nH]1)c1ccccc1.C[C@@H](NC(=O)c1cc2cc(C(F)(F)F)ccc2[nH]1)c1ccccc1.C[C@@H](NC(=O)c1cc2cc(OC(F)(F)F)ccc2[nH]1)c1ccccc1.Cc1cccc2[nH]c(C(=O)NC(C)c3ccccc3)cc12
InChIInChI=1S/C18H15F3N2O2.C18H15F3N2O.C18H18N2O.C17H14ClFN2O/c1-11(12-5-3-2-4-6-12)22-17(24)16-10-13-9-14(25-18(19,20)21)7-8-15(13)23-16;1-11(12-5-3-2-4-6-12)22-17(24)16-10-13-9-14(18(19,20)21)7-8-15(13)23-16;1-12-7-6-10-16-15(12)11-17(20-16)18(21)19-13(2)14-8-4-3-5-9-14;1-10(11-5-3-2-4-6-11)20-17(22)15-9-12-14(21-15)8-7-13(18)16(12)19/h2-11,23H,1H3,(H,22,24);2-11,23H,1H3,(H,22,24);3-11,13,20H,1-2H3,(H,19,21);2-10,21H,1H3,(H,20,22)/t2*11-;;10-/m11.1/s1
InChIKeyAZTZSKNIWOXNAW-BROQPBFCSA-N
XLogP17.65
TPSA188.79 Ų
H-Bond Donors8
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001275.77
LogP ≤ 517.65
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 105

Analyze 5-chloro-4-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;4-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide with MolForge

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Related Compounds

5-chloro-1-[(4-fluorophenyl)methyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]indole-2-carboxamide
CID 155490749
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]amino]butyl]acetamide
CID 177648582
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[10-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]amino]decyl]acetamide
CID 177658632
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]amino]hexyl]acetamide
CID 177659178
N-[(1S)-2-[2-[(Z)-(1-benzyl-6-fluoro-2-oxoindol-3-ylidene)-(5-methoxy-1H-indol-2-yl)methyl]-4-methoxyanilino]-1-(4-chlorophenyl)-2-oxoethyl]benzamide
CID 166445792
N-[2-[7-chloro-2-(trifluoromethyl)-1H-indol-3-yl]ethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide
CID 44624034
N-[2-(4-chloro-7-fluoro-2-methyl-1H-indol-3-yl)ethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide
CID 57551276
N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide
CID 57551284
N-[2-[7-fluoro-4-methyl-2-(trifluoromethyl)-1H-indol-3-yl]ethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide
CID 57551320
[(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
[(2S)-2-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperazin-1-yl]ethyl]pyrrolidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone
CID 68190201
(2R)-6-amino-N-[4-[bis[4-[[(2R)-6-amino-2-[[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]acetyl]amino]hexanoyl]amino]phenyl]methyl]phenyl]-2-[[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]acetyl]amino]hexanamide;hydrochloride
CID 87971515

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;4-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-4-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;4-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide (CID 157282098) is 5-chloro-4-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;4-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-4-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;4-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-4-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;4-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide is C[C@@H](NC(=O)c1cc2c(F)c(Cl)ccc2[nH]1)c1ccccc1.C[C@@H](NC(=O)c1cc2cc(C(F)(F)F)ccc2[nH]1)c1ccccc1.C[C@@H](NC(=O)c1cc2cc(OC(F)(F)F)ccc2[nH]1)c1ccccc1.Cc1cccc2[nH]c(C(=O)NC(C)c3ccccc3)cc12.
What is the InChIKey of 5-chloro-4-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;4-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide?
The InChIKey is AZTZSKNIWOXNAW-BROQPBFCSA-N. The full InChI is InChI=1S/C18H15F3N2O2.C18H15F3N2O.C18H18N2O.C17H14ClFN2O/c1-11(12-5-3-2-4-6-12)22-17(24)16-10-13-9-14(25-18(19,20)21)7-8-15(13)23-16;1-11(12-5-3-2-4-6-12)22-17(24)16-10-13-9-14(18(19,20)21)7-8-15(13)23-16;1-12-7-6-10-16-15(12)11-17(20-16)18(21)19-13(2)14-8-4-3-5-9-14;1-10(11-5-3-2-4-6-11)20-17(22)15-9-12-14(21-15)8-7-13(18)16(12)19/h2-11,23H,1H3,(H,22,24);2-11,23H,1H3,(H,22,24);3-11,13,20H,1-2H3,(H,19,21);2-10,21H,1H3,(H,20,22)/t2*11-;;10-/m11.1/s1.
What are the key properties of 5-chloro-4-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;4-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide?
5-chloro-4-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;4-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide has a molecular weight of 1275.77 g/mol, XLogP of 17.65, 13 rotatable bonds, 8 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;4-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 157282098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).