3,4-dimethyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]benzamide

C18H18N2O2 — CID 110781303

IUPAC3,4-dimethyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]benzamide
SMILESCc1ccc(C(=O)NCc2ccc3c(c2)CC(=O)N3)cc1C
InChIInChI=1S/C18H18N2O2/c1-11-3-5-14(7-12(11)2)18(22)19-10-13-4-6-16-15(8-13)9-17(21)20-16/h3-8H,9-10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyZSVIXKUQRKMYPO-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.73
Rot. Bonds3

About 3,4-dimethyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]benzamide

3,4-dimethyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]benzamide (PubChem CID 110781303) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3,4-dimethyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]benzamide
PubChem CID110781303
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name3,4-dimethyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]benzamide
SMILESCc1ccc(C(=O)NCc2ccc3c(c2)CC(=O)N3)cc1C
InChIInChI=1S/C18H18N2O2/c1-11-3-5-14(7-12(11)2)18(22)19-10-13-4-6-16-15(8-13)9-17(21)20-16/h3-8H,9-10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyZSVIXKUQRKMYPO-UHFFFAOYSA-N
XLogP2.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-carbamoylphenyl)methyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108797946
N-[(4-methoxyphenyl)methyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 11346996
2-(4-methylphenyl)-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]acetamide
CID 110781350
N-[(3-fluoro-4-methylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 31714300
N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 18765684
4-(methylamino)-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]butanamide
CID 115155707
3-methyl-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]benzamide
CID 110781541
N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 69247393
4-fluoro-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]benzamide
CID 110781545
4-oxo-4-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]butanoic acid
CID 82501019
4-(dimethylamino)-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]benzamide
CID 110795466
N-[(6-methyl-3-pyridinyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712353

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]benzamide (CID 110781303) is 3,4-dimethyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]benzamide is Cc1ccc(C(=O)NCc2ccc3c(c2)CC(=O)N3)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]benzamide?
The InChIKey is ZSVIXKUQRKMYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-11-3-5-14(7-12(11)2)18(22)19-10-13-4-6-16-15(8-13)9-17(21)20-16/h3-8H,9-10H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 3,4-dimethyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]benzamide?
3,4-dimethyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]benzamide has a molecular weight of 294.35 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]benzamide is sourced from PubChem (CID 110781303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).