3-methyl-N-[(3-methylbenzoyl)carbamoyl]benzamide

C17H16N2O3 — CID 134851134

IUPAC3-methyl-N-[(3-methylbenzoyl)carbamoyl]benzamide
SMILESCc1cccc(C(=O)NC(=O)NC(=O)c2cccc(C)c2)c1
InChIInChI=1S/C17H16N2O3/c1-11-5-3-7-13(9-11)15(20)18-17(22)19-16(21)14-8-4-6-12(2)10-14/h3-10H,1-2H3,(H2,18,19,20,21,22)
InChIKeyMNMPLARORQCBSF-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.58
Rot. Bonds2

About 3-methyl-N-[(3-methylbenzoyl)carbamoyl]benzamide

3-methyl-N-[(3-methylbenzoyl)carbamoyl]benzamide (PubChem CID 134851134) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 3-methyl-N-[(3-methylbenzoyl)carbamoyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[(3-methylbenzoyl)carbamoyl]benzamide
PubChem CID134851134
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name3-methyl-N-[(3-methylbenzoyl)carbamoyl]benzamide
SMILESCc1cccc(C(=O)NC(=O)NC(=O)c2cccc(C)c2)c1
InChIInChI=1S/C17H16N2O3/c1-11-5-3-7-13(9-11)15(20)18-17(22)19-16(21)14-8-4-6-12(2)10-14/h3-10H,1-2H3,(H2,18,19,20,21,22)
InChIKeyMNMPLARORQCBSF-UHFFFAOYSA-N
XLogP2.58
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Benzonal
CID 12938
Benzoylurea
CID 69190
3-methyl-N-(2-phenylethyl)benzamide
CID 723531
N'-benzoyl-N-tert-butyl-3,5-dimethylbenzohydrazide
CID 183463
N-(benzamidomethyl)benzamide
CID 347743
N-benzoyl-1-piperidinecarboxamide
CID 974065
Benzamide, N-(((1,1-dimethylethyl)amino)carbonyl)-
CID 217978
N-benzoylbenzamide
CID 136413
1-Benzoyl-2-thiobiuret
CID 2735472
N-cyclohexyl-N-methyl-N'-(3-methylbenzoyl)thiourea
CID 1792220
N-benzoyl-2-ethyl-1-piperidinecarboxamide
CID 2951994
N-[benzyl(methyl)carbamothioyl]benzamide
CID 3742197

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(3-methylbenzoyl)carbamoyl]benzamide?
The IUPAC name of 3-methyl-N-[(3-methylbenzoyl)carbamoyl]benzamide (CID 134851134) is 3-methyl-N-[(3-methylbenzoyl)carbamoyl]benzamide.
What is the SMILES notation for 3-methyl-N-[(3-methylbenzoyl)carbamoyl]benzamide?
The canonical SMILES for 3-methyl-N-[(3-methylbenzoyl)carbamoyl]benzamide is Cc1cccc(C(=O)NC(=O)NC(=O)c2cccc(C)c2)c1.
What is the InChIKey of 3-methyl-N-[(3-methylbenzoyl)carbamoyl]benzamide?
The InChIKey is MNMPLARORQCBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-11-5-3-7-13(9-11)15(20)18-17(22)19-16(21)14-8-4-6-12(2)10-14/h3-10H,1-2H3,(H2,18,19,20,21,22).
What are the key properties of 3-methyl-N-[(3-methylbenzoyl)carbamoyl]benzamide?
3-methyl-N-[(3-methylbenzoyl)carbamoyl]benzamide has a molecular weight of 296.33 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(3-methylbenzoyl)carbamoyl]benzamide is sourced from PubChem (CID 134851134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).