N-[3-(2,3-dimethylbenzoyl)phenyl]-2-methylbenzamide

C23H21NO2 — CID 846043

IUPACN-[3-(2,3-dimethylbenzoyl)phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1cccc(C(=O)c2cccc(C)c2C)c1
InChIInChI=1S/C23H21NO2/c1-15-9-6-13-21(17(15)3)22(25)18-10-7-11-19(14-18)24-23(26)20-12-5-4-8-16(20)2/h4-14H,1-3H3,(H,24,26)
InChIKeyJVYCVYLLPNWZOL-UHFFFAOYSA-N
MW343.43 g/mol
LogP5.10
Rot. Bonds4

About N-[3-(2,3-dimethylbenzoyl)phenyl]-2-methylbenzamide

N-[3-(2,3-dimethylbenzoyl)phenyl]-2-methylbenzamide (PubChem CID 846043) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[3-(2,3-dimethylbenzoyl)phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-(2,3-dimethylbenzoyl)phenyl]-2-methylbenzamide
PubChem CID846043
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC NameN-[3-(2,3-dimethylbenzoyl)phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1cccc(C(=O)c2cccc(C)c2C)c1
InChIInChI=1S/C23H21NO2/c1-15-9-6-13-21(17(15)3)22(25)18-10-7-11-19(14-18)24-23(26)20-12-5-4-8-16(20)2/h4-14H,1-3H3,(H,24,26)
InChIKeyJVYCVYLLPNWZOL-UHFFFAOYSA-N
XLogP5.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.43
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 17197346
N-[3-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2-methylbenzamide
CID 42427396
N-(3-aminophenyl)-2,3-dimethylbenzamide
CID 16789314
N-(3,4-dimethylphenyl)-2,3-dimethylbenzamide
CID 26593883
2-methyl-N-(3-methylsulfanylphenyl)benzamide
CID 836481
N-[3-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]-2-methylbenzamide
CID 91290164
2-methyl-N-[3-methyl-4-[2-methyl-4-[(2-methylbenzoyl)amino]phenyl]phenyl]benzamide
CID 23908248
N-(4-iodo-3,5-dimethylphenyl)-2-methylbenzamide
CID 17274184
2,3-dimethyl-N-[3-[1-(methylamino)ethyl]phenyl]benzamide
CID 43507775
4-methyl-N-[3-[(2-methylbenzoyl)amino]phenyl]-3,5-dinitrobenzamide
CID 171982729
N-[3-(cyclopropanecarbonylamino)phenyl]-2-methylbenzamide
CID 39991684
N-[3-(1-aminoethyl)phenyl]-2-methylbenzamide
CID 16788845

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dimethylbenzoyl)phenyl]-2-methylbenzamide?
The IUPAC name of N-[3-(2,3-dimethylbenzoyl)phenyl]-2-methylbenzamide (CID 846043) is N-[3-(2,3-dimethylbenzoyl)phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[3-(2,3-dimethylbenzoyl)phenyl]-2-methylbenzamide?
The canonical SMILES for N-[3-(2,3-dimethylbenzoyl)phenyl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1cccc(C(=O)c2cccc(C)c2C)c1.
What is the InChIKey of N-[3-(2,3-dimethylbenzoyl)phenyl]-2-methylbenzamide?
The InChIKey is JVYCVYLLPNWZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2/c1-15-9-6-13-21(17(15)3)22(25)18-10-7-11-19(14-18)24-23(26)20-12-5-4-8-16(20)2/h4-14H,1-3H3,(H,24,26).
What are the key properties of N-[3-(2,3-dimethylbenzoyl)phenyl]-2-methylbenzamide?
N-[3-(2,3-dimethylbenzoyl)phenyl]-2-methylbenzamide has a molecular weight of 343.43 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dimethylbenzoyl)phenyl]-2-methylbenzamide is sourced from PubChem (CID 846043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).