N-(3-benzamidophenyl)-2,3-dihydro-1H-indole-6-carboxamide

C22H19N3O2 — CID 143229213

IUPACN-(3-benzamidophenyl)-2,3-dihydro-1H-indole-6-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2ccc3c(c2)NCC3)c1)c1ccccc1
InChIInChI=1S/C22H19N3O2/c26-21(16-5-2-1-3-6-16)24-18-7-4-8-19(14-18)25-22(27)17-10-9-15-11-12-23-20(15)13-17/h1-10,13-14,23H,11-12H2,(H,24,26)(H,25,27)
InChIKeyQPZMWVKLIPPDFF-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.16
Rot. Bonds4

About N-(3-benzamidophenyl)-2,3-dihydro-1H-indole-6-carboxamide

N-(3-benzamidophenyl)-2,3-dihydro-1H-indole-6-carboxamide (PubChem CID 143229213) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-(3-benzamidophenyl)-2,3-dihydro-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-(3-benzamidophenyl)-2,3-dihydro-1H-indole-6-carboxamide
PubChem CID143229213
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC NameN-(3-benzamidophenyl)-2,3-dihydro-1H-indole-6-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2ccc3c(c2)NCC3)c1)c1ccccc1
InChIInChI=1S/C22H19N3O2/c26-21(16-5-2-1-3-6-16)24-18-7-4-8-19(14-18)25-22(27)17-10-9-15-11-12-23-20(15)13-17/h1-10,13-14,23H,11-12H2,(H,24,26)(H,25,27)
InChIKeyQPZMWVKLIPPDFF-UHFFFAOYSA-N
XLogP4.16
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(2,3-dihydro-1H-indol-5-yl)benzamide
CID 55169715
N-(3-bromo-2-methylphenyl)-2,3-dihydro-1H-indole-6-carboxamide
CID 107625093
N-(2-bromo-6-fluorophenyl)-2,3-dihydro-1H-indole-6-carboxamide
CID 107600018
N-(2,3-dihydro-1H-indol-5-yl)-4-iodobenzamide
CID 63252905
N-pyridin-3-yl-2,3-dihydro-1H-indole-5-carboxamide
CID 43142430
3,5-dibenzamido-N-phenylbenzamide
CID 17340966
3,4-difluoro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 63928507
N-cyclopentyl-2,3-dihydro-1H-indole-6-carboxamide
CID 113382512
4-benzamido-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 55726264
3-benzamido-N-(3-bromophenyl)benzamide
CID 1304486
N-(2,3-dihydro-1H-indol-5-yl)-4-methylsulfanylbenzamide
CID 79217122
N-(2,3-dihydro-1H-indol-5-yl)pyridine-3-carboxamide
CID 63253121

Frequently Asked Questions

What is the IUPAC name of N-(3-benzamidophenyl)-2,3-dihydro-1H-indole-6-carboxamide?
The IUPAC name of N-(3-benzamidophenyl)-2,3-dihydro-1H-indole-6-carboxamide (CID 143229213) is N-(3-benzamidophenyl)-2,3-dihydro-1H-indole-6-carboxamide.
What is the SMILES notation for N-(3-benzamidophenyl)-2,3-dihydro-1H-indole-6-carboxamide?
The canonical SMILES for N-(3-benzamidophenyl)-2,3-dihydro-1H-indole-6-carboxamide is O=C(Nc1cccc(NC(=O)c2ccc3c(c2)NCC3)c1)c1ccccc1.
What is the InChIKey of N-(3-benzamidophenyl)-2,3-dihydro-1H-indole-6-carboxamide?
The InChIKey is QPZMWVKLIPPDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c26-21(16-5-2-1-3-6-16)24-18-7-4-8-19(14-18)25-22(27)17-10-9-15-11-12-23-20(15)13-17/h1-10,13-14,23H,11-12H2,(H,24,26)(H,25,27).
What are the key properties of N-(3-benzamidophenyl)-2,3-dihydro-1H-indole-6-carboxamide?
N-(3-benzamidophenyl)-2,3-dihydro-1H-indole-6-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 4.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzamidophenyl)-2,3-dihydro-1H-indole-6-carboxamide is sourced from PubChem (CID 143229213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).