4-(azepane-1-carbonyl)-N-(2,4-dimethylphenyl)benzamide

C22H26N2O2 — CID 109049129

IUPAC4-(azepane-1-carbonyl)-N-(2,4-dimethylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(C(=O)N3CCCCCC3)cc2)c(C)c1
InChIInChI=1S/C22H26N2O2/c1-16-7-12-20(17(2)15-16)23-21(25)18-8-10-19(11-9-18)22(26)24-13-5-3-4-6-14-24/h7-12,15H,3-6,13-14H2,1-2H3,(H,23,25)
InChIKeyYOFHNWVKNHBJSD-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.57
Rot. Bonds3

About 4-(azepane-1-carbonyl)-N-(2,4-dimethylphenyl)benzamide

4-(azepane-1-carbonyl)-N-(2,4-dimethylphenyl)benzamide (PubChem CID 109049129) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 4-(azepane-1-carbonyl)-N-(2,4-dimethylphenyl)benzamide.

Molecular Properties

Compound Name4-(azepane-1-carbonyl)-N-(2,4-dimethylphenyl)benzamide
PubChem CID109049129
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name4-(azepane-1-carbonyl)-N-(2,4-dimethylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(C(=O)N3CCCCCC3)cc2)c(C)c1
InChIInChI=1S/C22H26N2O2/c1-16-7-12-20(17(2)15-16)23-21(25)18-8-10-19(11-9-18)22(26)24-13-5-3-4-6-14-24/h7-12,15H,3-6,13-14H2,1-2H3,(H,23,25)
InChIKeyYOFHNWVKNHBJSD-UHFFFAOYSA-N
XLogP4.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(azepane-1-carbonyl)-N-(2,4-dimethylphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,4-dimethylphenyl)-3-(piperidine-1-carbonyl)benzamide
CID 109052045
N-(2,4-dimethylphenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109048965
N-(2,4-dimethylphenyl)-4-piperidin-1-ylbenzamide
CID 21173697
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370
N-(5-chloro-2-methylphenyl)-4-(piperidine-1-carbonyl)benzamide
CID 109044656
4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 42157583
N-(2,4-dimethylphenyl)-3-(morpholine-4-carbonyl)benzamide
CID 109052893
ethane;(4-methylphenyl)-piperidin-1-ylmethanone
CID 142182120
4-(azepane-1-carbonyl)-N-(2,4-difluorophenyl)benzamide
CID 109049185
1-N-(2,4-dimethylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109043157
4-amino-N-(2,4-dimethylphenyl)benzamide
CID 835597
N-[4-(azepane-1-carbonyl)phenyl]-3-methylbenzamide
CID 17198989

Frequently Asked Questions

What is the IUPAC name of 4-(azepane-1-carbonyl)-N-(2,4-dimethylphenyl)benzamide?
The IUPAC name of 4-(azepane-1-carbonyl)-N-(2,4-dimethylphenyl)benzamide (CID 109049129) is 4-(azepane-1-carbonyl)-N-(2,4-dimethylphenyl)benzamide.
What is the SMILES notation for 4-(azepane-1-carbonyl)-N-(2,4-dimethylphenyl)benzamide?
The canonical SMILES for 4-(azepane-1-carbonyl)-N-(2,4-dimethylphenyl)benzamide is Cc1ccc(NC(=O)c2ccc(C(=O)N3CCCCCC3)cc2)c(C)c1.
What is the InChIKey of 4-(azepane-1-carbonyl)-N-(2,4-dimethylphenyl)benzamide?
The InChIKey is YOFHNWVKNHBJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-16-7-12-20(17(2)15-16)23-21(25)18-8-10-19(11-9-18)22(26)24-13-5-3-4-6-14-24/h7-12,15H,3-6,13-14H2,1-2H3,(H,23,25).
What are the key properties of 4-(azepane-1-carbonyl)-N-(2,4-dimethylphenyl)benzamide?
4-(azepane-1-carbonyl)-N-(2,4-dimethylphenyl)benzamide has a molecular weight of 350.46 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepane-1-carbonyl)-N-(2,4-dimethylphenyl)benzamide is sourced from PubChem (CID 109049129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).