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

C17H15N3O — CID 80564486

IUPACN-[4-(cyanomethyl)phenyl]-2,3-dihydro-1H-indole-3-carboxamide
SMILESN#CCc1ccc(NC(=O)C2CNc3ccccc32)cc1
InChIInChI=1S/C17H15N3O/c18-10-9-12-5-7-13(8-6-12)20-17(21)15-11-19-16-4-2-1-3-14(15)16/h1-8,15,19H,9,11H2,(H,20,21)
InChIKeyUFPVGFPPGLMROO-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.90
Rot. Bonds3

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

N-[4-(cyanomethyl)phenyl]-2,3-dihydro-1H-indole-3-carboxamide (PubChem CID 80564486) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is N-[4-(cyanomethyl)phenyl]-2,3-dihydro-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(cyanomethyl)phenyl]-2,3-dihydro-1H-indole-3-carboxamide
PubChem CID80564486
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC NameN-[4-(cyanomethyl)phenyl]-2,3-dihydro-1H-indole-3-carboxamide
SMILESN#CCc1ccc(NC(=O)C2CNc3ccccc32)cc1
InChIInChI=1S/C17H15N3O/c18-10-9-12-5-7-13(8-6-12)20-17(21)15-11-19-16-4-2-1-3-14(15)16/h1-8,15,19H,9,11H2,(H,20,21)
InChIKeyUFPVGFPPGLMROO-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80565407
(2S)-N-[4-(cyanomethyl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 61178228
N-pyrimidin-5-yl-2,3-dihydro-1H-indole-3-carboxamide
CID 107588629
N-(1-cyanopropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566463
N-(3-bromophenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80565871
N-[4-(cyanomethyl)phenyl]-9H-xanthene-9-carboxamide
CID 9193770
N-(4-fluoro-3-methylphenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566409
N-(1,2-oxazol-4-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566319
N-(2-ethylphenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80565911
N-(3-fluoro-5-methylphenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80567216
N-(2-fluorophenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566014
5-(2,3-dihydro-1H-indole-3-carbonylamino)pyridine-3-carboxylic acid
CID 80563548

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethyl)phenyl]-2,3-dihydro-1H-indole-3-carboxamide?
The IUPAC name of N-[4-(cyanomethyl)phenyl]-2,3-dihydro-1H-indole-3-carboxamide (CID 80564486) is N-[4-(cyanomethyl)phenyl]-2,3-dihydro-1H-indole-3-carboxamide.
What is the SMILES notation for N-[4-(cyanomethyl)phenyl]-2,3-dihydro-1H-indole-3-carboxamide?
The canonical SMILES for N-[4-(cyanomethyl)phenyl]-2,3-dihydro-1H-indole-3-carboxamide is N#CCc1ccc(NC(=O)C2CNc3ccccc32)cc1.
What is the InChIKey of N-[4-(cyanomethyl)phenyl]-2,3-dihydro-1H-indole-3-carboxamide?
The InChIKey is UFPVGFPPGLMROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c18-10-9-12-5-7-13(8-6-12)20-17(21)15-11-19-16-4-2-1-3-14(15)16/h1-8,15,19H,9,11H2,(H,20,21).
What are the key properties of N-[4-(cyanomethyl)phenyl]-2,3-dihydro-1H-indole-3-carboxamide?
N-[4-(cyanomethyl)phenyl]-2,3-dihydro-1H-indole-3-carboxamide has a molecular weight of 277.33 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethyl)phenyl]-2,3-dihydro-1H-indole-3-carboxamide is sourced from PubChem (CID 80564486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).