5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide

C17H15ClN2O — CID 7323927

IUPAC5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
SMILESC[C@H](NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccccc1
InChIInChI=1S/C17H15ClN2O/c1-11(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)/t11-/m0/s1
InChIKeyKNBUEFQZZKXGIC-NSHDSACASA-N
MW298.77 g/mol
LogP4.31
Rot. Bonds3

About 5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide

5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide (PubChem CID 7323927) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
PubChem CID7323927
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
SMILESC[C@H](NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccccc1
InChIInChI=1S/C17H15ClN2O/c1-11(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)/t11-/m0/s1
InChIKeyKNBUEFQZZKXGIC-NSHDSACASA-N
XLogP4.31
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
CID 7322417
5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide
CID 4910187
N-(1-phenylethyl)-5-propan-2-yloxy-1H-indole-2-carboxamide
CID 123445942
5-chloro-7-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide
CID 118425259
N-(1-phenylethyl)-5-(trifluoromethyl)-1H-indole-2-carboxamide
CID 123184701
5-chloro-N-(1-hydroxypropan-2-yl)-1H-indole-2-carboxamide
CID 78856647
5-chloro-N-[1-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethyl]-1H-indole-2-carboxamide
CID 129040061
5-chloro-4-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide
CID 123567229
5-fluoro-N-[(1R)-1-(3-fluorophenyl)ethyl]-1H-indole-2-carboxamide
CID 25487390
N-[1-(4-aminophenyl)ethyl]-1H-indole-2-carboxamide
CID 116650098
3-[(5-chloro-1H-indole-2-carbonyl)amino]-2-hydroxypentanoic acid
CID 20627086
(2S,3R)-3-[(5-chloro-1H-indole-2-carbonyl)amino]-2-hydroxy-4-phenylbutanoic acid
CID 10809326

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide (CID 7323927) is 5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide is C[C@H](NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccccc1.
What is the InChIKey of 5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide?
The InChIKey is KNBUEFQZZKXGIC-NSHDSACASA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-11(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)/t11-/m0/s1.
What are the key properties of 5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide?
5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide has a molecular weight of 298.77 g/mol, XLogP of 4.31, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 7323927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).