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

C17H15N3O — CID 61178228

IUPAC(2S)-N-[4-(cyanomethyl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESN#CCc1ccc(NC(=O)[C@@H]2Cc3ccccc3N2)cc1
InChIInChI=1S/C17H15N3O/c18-10-9-12-5-7-14(8-6-12)19-17(21)16-11-13-3-1-2-4-15(13)20-16/h1-8,16,20H,9,11H2,(H,19,21)/t16-/m0/s1
InChIKeyVHNBHTJSUANXBG-INIZCTEOSA-N
MW277.33 g/mol
LogP2.73
Rot. Bonds3

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

(2S)-N-[4-(cyanomethyl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 61178228) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is (2S)-N-[4-(cyanomethyl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[4-(cyanomethyl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID61178228
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name(2S)-N-[4-(cyanomethyl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESN#CCc1ccc(NC(=O)[C@@H]2Cc3ccccc3N2)cc1
InChIInChI=1S/C17H15N3O/c18-10-9-12-5-7-14(8-6-12)19-17(21)16-11-13-3-1-2-4-15(13)20-16/h1-8,16,20H,9,11H2,(H,19,21)/t16-/m0/s1
InChIKeyVHNBHTJSUANXBG-INIZCTEOSA-N
XLogP2.73
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-N-[4-(cyanomethyl)phenyl]-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

Related Compounds

(2S)-N-(4-cyanophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61148170
N-(4-nitrophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 46216462
N-thiophen-3-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 77126351
methyl 4-(2,3-dihydro-1H-indole-2-carbonylamino)benzoate
CID 110861747
(2S)-N-[3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 61179485
N-[4-(cyanomethyl)phenyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80564486
N-[4-(cyanomethyl)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 112723316
(2S)-N-pyrimidin-5-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 107588543
N-(3,5-dichlorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 46216647
N-(3-hydroxy-4-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 107701339
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

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(cyanomethyl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of (2S)-N-[4-(cyanomethyl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide (CID 61178228) is (2S)-N-[4-(cyanomethyl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for (2S)-N-[4-(cyanomethyl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for (2S)-N-[4-(cyanomethyl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide is N#CCc1ccc(NC(=O)[C@@H]2Cc3ccccc3N2)cc1.
What is the InChIKey of (2S)-N-[4-(cyanomethyl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is VHNBHTJSUANXBG-INIZCTEOSA-N. The full InChI is InChI=1S/C17H15N3O/c18-10-9-12-5-7-14(8-6-12)19-17(21)16-11-13-3-1-2-4-15(13)20-16/h1-8,16,20H,9,11H2,(H,19,21)/t16-/m0/s1.
What are the key properties of (2S)-N-[4-(cyanomethyl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide?
(2S)-N-[4-(cyanomethyl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 277.33 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(cyanomethyl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 61178228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).