(2S)-N-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide

C16H15ClN2O — CID 61148810

IUPAC(2S)-N-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C16H15ClN2O/c17-13-7-5-11(6-8-13)10-18-16(20)15-9-12-3-1-2-4-14(12)19-15/h1-8,15,19H,9-10H2,(H,18,20)/t15-/m0/s1
InChIKeySEEVCYBLPMRSBC-HNNXBMFYSA-N
MW286.76 g/mol
LogP2.99
Rot. Bonds3

About (2S)-N-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide

(2S)-N-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 61148810) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is (2S)-N-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID61148810
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name(2S)-N-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C16H15ClN2O/c17-13-7-5-11(6-8-13)10-18-16(20)15-9-12-3-1-2-4-14(12)19-15/h1-8,15,19H,9-10H2,(H,18,20)/t15-/m0/s1
InChIKeySEEVCYBLPMRSBC-HNNXBMFYSA-N
XLogP2.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76892488
(2S)-N-[(3-fluoro-4-methylphenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 61155551
N-(thiophen-3-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76988868
N-[2-(3-chlorophenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76897371
N-[(3-cyanophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76887453
(2S)-N-[(2-bromophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 61402453
(4-chlorophenyl)-(2,3-dihydro-1H-indol-2-yl)methanone
CID 116596841
(2S)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61147921
3-(2,3-dihydro-1H-indole-2-carbonylamino)-2-methylpropanoic acid
CID 54462725
N-[(4-chlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 76895013
N-[2-(5-chlorothiophen-2-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 104931777
3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoic acid
CID 61157648

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of (2S)-N-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide (CID 61148810) is (2S)-N-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for (2S)-N-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for (2S)-N-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide is O=C(NCc1ccc(Cl)cc1)[C@@H]1Cc2ccccc2N1.
What is the InChIKey of (2S)-N-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is SEEVCYBLPMRSBC-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c17-13-7-5-11(6-8-13)10-18-16(20)15-9-12-3-1-2-4-14(12)19-15/h1-8,15,19H,9-10H2,(H,18,20)/t15-/m0/s1.
What are the key properties of (2S)-N-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide?
(2S)-N-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 286.76 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 61148810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).