5-bromo-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-4-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-6-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1R)-1-phenylethyl]-2,3-dihydro-1H-indole-2-carboxamide

C68H60BrCl3F2N8O4 — CID 159060749

IUPAC5-bromo-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-4-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-6-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1R)-1-phenylethyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESC[C@@H](NC(=O)C1Cc2cc(Cl)ccc2N1)c1ccccc1.C[C@@H](NC(=O)c1cc2c(F)c(Cl)ccc2[nH]1)c1ccccc1.C[C@@H](NC(=O)c1cc2cc(Br)ccc2[nH]1)c1ccccc1.C[C@@H](NC(=O)c1cc2cc(Cl)c(F)cc2[nH]1)c1ccccc1
InChIInChI=1S/C17H15BrN2O.2C17H14ClFN2O.C17H17ClN2O/c1-11(12-5-3-2-4-6-12)19-17(21)16-10-13-9-14(18)7-8-15(13)20-16;1-10(11-5-3-2-4-6-11)20-17(22)16-8-12-7-13(18)14(19)9-15(12)21-16;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;1-11(12-5-3-2-4-6-12)19-17(21)16-10-13-9-14(18)7-8-15(13)20-16/h2-11,20H,1H3,(H,19,21);2*2-10,21H,1H3,(H,20,22);2-9,11,16,20H,10H2,1H3,(H,19,21)/t11-;2*10-;11-,16?/m1111/s1
InChIKeyJYKYSVGLAJTAOM-PMZVBAIUSA-N
MW1277.54 g/mol
LogP16.88
Rot. Bonds12

About 5-bromo-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-4-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-6-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1R)-1-phenylethyl]-2,3-dihydro-1H-indole-2-carboxamide

5-bromo-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-4-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-6-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1R)-1-phenylethyl]-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 159060749) has the molecular formula C68H60BrCl3F2N8O4 and a molecular weight of 1277.54 g/mol. Its IUPAC name is 5-bromo-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-4-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-6-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1R)-1-phenylethyl]-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-4-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-6-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1R)-1-phenylethyl]-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID159060749
Molecular FormulaC68H60BrCl3F2N8O4
Molecular Weight1277.54 g/mol
Exact Mass1274.30
IUPAC Name5-bromo-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-4-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-6-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1R)-1-phenylethyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESC[C@@H](NC(=O)C1Cc2cc(Cl)ccc2N1)c1ccccc1.C[C@@H](NC(=O)c1cc2c(F)c(Cl)ccc2[nH]1)c1ccccc1.C[C@@H](NC(=O)c1cc2cc(Br)ccc2[nH]1)c1ccccc1.C[C@@H](NC(=O)c1cc2cc(Cl)c(F)cc2[nH]1)c1ccccc1
InChIInChI=1S/C17H15BrN2O.2C17H14ClFN2O.C17H17ClN2O/c1-11(12-5-3-2-4-6-12)19-17(21)16-10-13-9-14(18)7-8-15(13)20-16;1-10(11-5-3-2-4-6-11)20-17(22)16-8-12-7-13(18)14(19)9-15(12)21-16;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;1-11(12-5-3-2-4-6-12)19-17(21)16-10-13-9-14(18)7-8-15(13)20-16/h2-11,20H,1H3,(H,19,21);2*2-10,21H,1H3,(H,20,22);2-9,11,16,20H,10H2,1H3,(H,19,21)/t11-;2*10-;11-,16?/m1111/s1
InChIKeyJYKYSVGLAJTAOM-PMZVBAIUSA-N
XLogP16.88
TPSA175.80 Ų
H-Bond Donors8
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001277.54
LogP ≤ 516.88
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 105

Analyze 5-bromo-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-4-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-6-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1R)-1-phenylethyl]-2,3-dihydro-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-4-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-6-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1R)-1-phenylethyl]-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of 5-bromo-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-4-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-6-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1R)-1-phenylethyl]-2,3-dihydro-1H-indole-2-carboxamide (CID 159060749) is 5-bromo-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-4-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-6-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1R)-1-phenylethyl]-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-4-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-6-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1R)-1-phenylethyl]-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-4-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-6-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1R)-1-phenylethyl]-2,3-dihydro-1H-indole-2-carboxamide is C[C@@H](NC(=O)C1Cc2cc(Cl)ccc2N1)c1ccccc1.C[C@@H](NC(=O)c1cc2c(F)c(Cl)ccc2[nH]1)c1ccccc1.C[C@@H](NC(=O)c1cc2cc(Br)ccc2[nH]1)c1ccccc1.C[C@@H](NC(=O)c1cc2cc(Cl)c(F)cc2[nH]1)c1ccccc1.
What is the InChIKey of 5-bromo-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-4-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-6-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1R)-1-phenylethyl]-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is JYKYSVGLAJTAOM-PMZVBAIUSA-N. The full InChI is InChI=1S/C17H15BrN2O.2C17H14ClFN2O.C17H17ClN2O/c1-11(12-5-3-2-4-6-12)19-17(21)16-10-13-9-14(18)7-8-15(13)20-16;1-10(11-5-3-2-4-6-11)20-17(22)16-8-12-7-13(18)14(19)9-15(12)21-16;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;1-11(12-5-3-2-4-6-12)19-17(21)16-10-13-9-14(18)7-8-15(13)20-16/h2-11,20H,1H3,(H,19,21);2*2-10,21H,1H3,(H,20,22);2-9,11,16,20H,10H2,1H3,(H,19,21)/t11-;2*10-;11-,16?/m1111/s1.
What are the key properties of 5-bromo-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-4-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-6-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1R)-1-phenylethyl]-2,3-dihydro-1H-indole-2-carboxamide?
5-bromo-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-4-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-6-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1R)-1-phenylethyl]-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 1277.54 g/mol, XLogP of 16.88, 12 rotatable bonds, 8 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-4-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-6-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1R)-1-phenylethyl]-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 159060749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).