(2S)-N-(5-chloro-2-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide

C16H15ClN2O — CID 61147929

IUPAC(2S)-N-(5-chloro-2-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C16H15ClN2O/c1-10-6-7-12(17)9-14(10)19-16(20)15-8-11-4-2-3-5-13(11)18-15/h2-7,9,15,18H,8H2,1H3,(H,19,20)/t15-/m0/s1
InChIKeyAUECPRHQJMPBGB-HNNXBMFYSA-N
MW286.76 g/mol
LogP3.62
Rot. Bonds2

About (2S)-N-(5-chloro-2-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide

(2S)-N-(5-chloro-2-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 61147929) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is (2S)-N-(5-chloro-2-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(5-chloro-2-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID61147929
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name(2S)-N-(5-chloro-2-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C16H15ClN2O/c1-10-6-7-12(17)9-14(10)19-16(20)15-8-11-4-2-3-5-13(11)18-15/h2-7,9,15,18H,8H2,1H3,(H,19,20)/t15-/m0/s1
InChIKeyAUECPRHQJMPBGB-HNNXBMFYSA-N
XLogP3.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-5-chlorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 81271371
(2S)-N-(5-bromo-2-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61178266
N-(4-hydroxy-2,5-dimethylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 106954312
N-(3-hydroxy-2,4-dimethylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76887740
N-(3,5-dichlorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 46216647
(2S)-N-(4-fluoro-3-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 62813197
N-(3-hydroxy-4-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 107701339
N-(4-methoxy-2-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76951044
(2S)-N-(2,3-dichlorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61148394
N-(5-chloro-2-pyridinyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76892365
N-(2-methyl-3-pyridinyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 80567402
N-(3-chloro-2-fluorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76892616

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-chloro-2-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of (2S)-N-(5-chloro-2-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide (CID 61147929) is (2S)-N-(5-chloro-2-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for (2S)-N-(5-chloro-2-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for (2S)-N-(5-chloro-2-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide is Cc1ccc(Cl)cc1NC(=O)[C@@H]1Cc2ccccc2N1.
What is the InChIKey of (2S)-N-(5-chloro-2-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is AUECPRHQJMPBGB-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c1-10-6-7-12(17)9-14(10)19-16(20)15-8-11-4-2-3-5-13(11)18-15/h2-7,9,15,18H,8H2,1H3,(H,19,20)/t15-/m0/s1.
What are the key properties of (2S)-N-(5-chloro-2-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide?
(2S)-N-(5-chloro-2-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 286.76 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-chloro-2-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 61147929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).