N-(2-cyanophenyl)-2,3-dihydroindole-1-carboxamide

C16H13N3O — CID 108991226

IUPACN-(2-cyanophenyl)-2,3-dihydroindole-1-carboxamide
SMILESN#Cc1ccccc1NC(=O)N1CCc2ccccc21
InChIInChI=1S/C16H13N3O/c17-11-13-6-1-3-7-14(13)18-16(20)19-10-9-12-5-2-4-8-15(12)19/h1-8H,9-10H2,(H,18,20)
InChIKeyLMQDOOIXVXUYLW-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.15
Rot. Bonds1

About N-(2-cyanophenyl)-2,3-dihydroindole-1-carboxamide

N-(2-cyanophenyl)-2,3-dihydroindole-1-carboxamide (PubChem CID 108991226) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2,3-dihydroindole-1-carboxamide
PubChem CID108991226
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC NameN-(2-cyanophenyl)-2,3-dihydroindole-1-carboxamide
SMILESN#Cc1ccccc1NC(=O)N1CCc2ccccc21
InChIInChI=1S/C16H13N3O/c17-11-13-6-1-3-7-14(13)18-16(20)19-10-9-12-5-2-4-8-15(12)19/h1-8H,9-10H2,(H,18,20)
InChIKeyLMQDOOIXVXUYLW-UHFFFAOYSA-N
XLogP3.15
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyanophenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108953344
N-(2-fluorophenyl)-2,3-dihydroindole-1-carboxamide
CID 6468631
N-(2-sulfanylphenyl)-2,3-dihydroindole-1-carboxamide
CID 108886503
N-(2-ethylphenyl)-2,3-dihydroindole-1-carboxamide
CID 6468642
N-(4-nitrophenyl)-2,3-dihydroindole-1-carboxamide
CID 2897905
2-[[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-pyridinyl]amino]benzonitrile
CID 109176532
2-(3,4-dihydro-2H-quinoline-1-carbonylamino)benzoic acid
CID 21186078
2-[[4-(2,3-dihydroindole-1-carbonyl)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 109335514
CID 144672697
CID 144672697
N-(4-aminophenyl)-2,3-dihydroindole-1-carboxamide
CID 43469027
N-(2-cyanophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropanamide
CID 108948209
N-(2,6-diethylphenyl)-2,3-dihydroindole-1-carboxamide
CID 108991191

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-2,3-dihydroindole-1-carboxamide (CID 108991226) is N-(2-cyanophenyl)-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-2,3-dihydroindole-1-carboxamide is N#Cc1ccccc1NC(=O)N1CCc2ccccc21.
What is the InChIKey of N-(2-cyanophenyl)-2,3-dihydroindole-1-carboxamide?
The InChIKey is LMQDOOIXVXUYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c17-11-13-6-1-3-7-14(13)18-16(20)19-10-9-12-5-2-4-8-15(12)19/h1-8H,9-10H2,(H,18,20).
What are the key properties of N-(2-cyanophenyl)-2,3-dihydroindole-1-carboxamide?
N-(2-cyanophenyl)-2,3-dihydroindole-1-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 108991226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).