(2S)-N-(4-cyanophenyl)-2,3-dihydro-1H-indole-2-carboxamide

C16H13N3O — CID 61148170

IUPAC(2S)-N-(4-cyanophenyl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESN#Cc1ccc(NC(=O)[C@@H]2Cc3ccccc3N2)cc1
InChIInChI=1S/C16H13N3O/c17-10-11-5-7-13(8-6-11)18-16(20)15-9-12-3-1-2-4-14(12)19-15/h1-8,15,19H,9H2,(H,18,20)/t15-/m0/s1
InChIKeyJCXBBLAIUCBFDC-HNNXBMFYSA-N
MW263.30 g/mol
LogP2.53
Rot. Bonds2

About (2S)-N-(4-cyanophenyl)-2,3-dihydro-1H-indole-2-carboxamide

(2S)-N-(4-cyanophenyl)-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 61148170) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is (2S)-N-(4-cyanophenyl)-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-cyanophenyl)-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID61148170
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name(2S)-N-(4-cyanophenyl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESN#Cc1ccc(NC(=O)[C@@H]2Cc3ccccc3N2)cc1
InChIInChI=1S/C16H13N3O/c17-10-11-5-7-13(8-6-11)18-16(20)15-9-12-3-1-2-4-14(12)19-15/h1-8,15,19H,9H2,(H,18,20)/t15-/m0/s1
InChIKeyJCXBBLAIUCBFDC-HNNXBMFYSA-N
XLogP2.53
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[4-(cyanomethyl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 61178228
N-(4-nitrophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 46216462
methyl 4-(2,3-dihydro-1H-indole-2-carbonylamino)benzoate
CID 110861747
N-(3,5-dichlorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 46216647
N-thiophen-3-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 77126351
(2S)-N-pyrimidin-5-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 107588543
N-(4-cyanophenyl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 76979846
N-(3-hydroxy-4-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 107701339
N-[(3-cyanophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76887453
N-hydroxy-2,3-dihydro-1H-indole-2-carboxamide
CID 77014605
(2S)-N-(4-fluoro-3-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 62813197
N-(4-chloro-3-fluorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76887353

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-cyanophenyl)-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of (2S)-N-(4-cyanophenyl)-2,3-dihydro-1H-indole-2-carboxamide (CID 61148170) is (2S)-N-(4-cyanophenyl)-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for (2S)-N-(4-cyanophenyl)-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for (2S)-N-(4-cyanophenyl)-2,3-dihydro-1H-indole-2-carboxamide is N#Cc1ccc(NC(=O)[C@@H]2Cc3ccccc3N2)cc1.
What is the InChIKey of (2S)-N-(4-cyanophenyl)-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is JCXBBLAIUCBFDC-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H13N3O/c17-10-11-5-7-13(8-6-11)18-16(20)15-9-12-3-1-2-4-14(12)19-15/h1-8,15,19H,9H2,(H,18,20)/t15-/m0/s1.
What are the key properties of (2S)-N-(4-cyanophenyl)-2,3-dihydro-1H-indole-2-carboxamide?
(2S)-N-(4-cyanophenyl)-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-cyanophenyl)-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 61148170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).