N-(3-acetylphenyl)-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide

C25H22N2O3 — CID 109057702

IUPACN-(3-acetylphenyl)-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide
SMILESCC(=O)c1cccc(NC(=O)c2cccc(C(=O)N3c4ccccc4CC3C)c2)c1
InChIInChI=1S/C25H22N2O3/c1-16-13-19-7-3-4-12-23(19)27(16)25(30)21-10-5-9-20(14-21)24(29)26-22-11-6-8-18(15-22)17(2)28/h3-12,14-16H,13H2,1-2H3,(H,26,29)
InChIKeySYKQERHFNXUXLD-UHFFFAOYSA-N
MW398.46 g/mol
LogP4.73
Rot. Bonds4

About N-(3-acetylphenyl)-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide

N-(3-acetylphenyl)-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide (PubChem CID 109057702) has the molecular formula C25H22N2O3 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide
PubChem CID109057702
Molecular FormulaC25H22N2O3
Molecular Weight398.46 g/mol
Exact Mass398.16
IUPAC NameN-(3-acetylphenyl)-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide
SMILESCC(=O)c1cccc(NC(=O)c2cccc(C(=O)N3c4ccccc4CC3C)c2)c1
InChIInChI=1S/C25H22N2O3/c1-16-13-19-7-3-4-12-23(19)27(16)25(30)21-10-5-9-20(14-21)24(29)26-22-11-6-8-18(15-22)17(2)28/h3-12,14-16H,13H2,1-2H3,(H,26,29)
InChIKeySYKQERHFNXUXLD-UHFFFAOYSA-N
XLogP4.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]benzamide
CID 51729442
1-[3-[[5-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrimidin-2-yl]amino]phenyl]ethanone
CID 109270088
N-(2-cyanophenyl)-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide
CID 109057792
N-butan-2-yl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide
CID 109051597
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
N-(3-acetylphenyl)-3-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]propanamide
CID 53066231
3-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(2-phenylethyl)benzamide
CID 109055314
(3-iodophenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 2943863
3-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-[(4-methylphenyl)methyl]benzamide
CID 109054414
3-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-phenylbenzenesulfonamide
CID 19257347
N-[(2-fluorophenyl)methyl]-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide
CID 109054646
[3-(dimethylamino)phenyl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 29176454

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide?
The IUPAC name of N-(3-acetylphenyl)-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide (CID 109057702) is N-(3-acetylphenyl)-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide?
The canonical SMILES for N-(3-acetylphenyl)-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide is CC(=O)c1cccc(NC(=O)c2cccc(C(=O)N3c4ccccc4CC3C)c2)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide?
The InChIKey is SYKQERHFNXUXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3/c1-16-13-19-7-3-4-12-23(19)27(16)25(30)21-10-5-9-20(14-21)24(29)26-22-11-6-8-18(15-22)17(2)28/h3-12,14-16H,13H2,1-2H3,(H,26,29).
What are the key properties of N-(3-acetylphenyl)-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide?
N-(3-acetylphenyl)-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide has a molecular weight of 398.46 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide is sourced from PubChem (CID 109057702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).