N-[2-(azocane-1-carbonyl)phenyl]-3-methylbenzamide

C22H26N2O2 — CID 99140359

IUPACN-[2-(azocane-1-carbonyl)phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccccc2C(=O)N2CCCCCCC2)c1
InChIInChI=1S/C22H26N2O2/c1-17-10-9-11-18(16-17)21(25)23-20-13-6-5-12-19(20)22(26)24-14-7-3-2-4-8-15-24/h5-6,9-13,16H,2-4,7-8,14-15H2,1H3,(H,23,25)
InChIKeyVFHAHLUMHPJQLE-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.65
Rot. Bonds3

About N-[2-(azocane-1-carbonyl)phenyl]-3-methylbenzamide

N-[2-(azocane-1-carbonyl)phenyl]-3-methylbenzamide (PubChem CID 99140359) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[2-(azocane-1-carbonyl)phenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-(azocane-1-carbonyl)phenyl]-3-methylbenzamide
PubChem CID99140359
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-[2-(azocane-1-carbonyl)phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccccc2C(=O)N2CCCCCCC2)c1
InChIInChI=1S/C22H26N2O2/c1-17-10-9-11-18(16-17)21(25)23-20-13-6-5-12-19(20)22(26)24-14-7-3-2-4-8-15-24/h5-6,9-13,16H,2-4,7-8,14-15H2,1H3,(H,23,25)
InChIKeyVFHAHLUMHPJQLE-UHFFFAOYSA-N
XLogP4.65
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 ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 171151506
ethyl 4-[2-[(3-methylbenzoyl)amino]benzoyl]piperazine-1-carboxylate
CID 2984971
1-N,4-N-bis[2-(azepane-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 4938376
N-[4-(azepane-1-carbonyl)phenyl]-3-methylbenzamide
CID 17198989
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040
3-methyl-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]benzamide
CID 19336985
2-(3-methylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 5138482
N-(2,4-dimethylphenyl)-3-(piperidine-1-carbonyl)benzamide
CID 109052045
N-[2-(azepane-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide
CID 4937859
N-[2-(azepane-1-carbonyl)phenyl]-2-chlorobenzamide
CID 2985638
4-piperidin-1-yl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 21367427
3-bromo-N-[2-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]benzamide
CID 47047817

Frequently Asked Questions

What is the IUPAC name of N-[2-(azocane-1-carbonyl)phenyl]-3-methylbenzamide?
The IUPAC name of N-[2-(azocane-1-carbonyl)phenyl]-3-methylbenzamide (CID 99140359) is N-[2-(azocane-1-carbonyl)phenyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-(azocane-1-carbonyl)phenyl]-3-methylbenzamide?
The canonical SMILES for N-[2-(azocane-1-carbonyl)phenyl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccccc2C(=O)N2CCCCCCC2)c1.
What is the InChIKey of N-[2-(azocane-1-carbonyl)phenyl]-3-methylbenzamide?
The InChIKey is VFHAHLUMHPJQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-17-10-9-11-18(16-17)21(25)23-20-13-6-5-12-19(20)22(26)24-14-7-3-2-4-8-15-24/h5-6,9-13,16H,2-4,7-8,14-15H2,1H3,(H,23,25).
What are the key properties of N-[2-(azocane-1-carbonyl)phenyl]-3-methylbenzamide?
N-[2-(azocane-1-carbonyl)phenyl]-3-methylbenzamide has a molecular weight of 350.46 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azocane-1-carbonyl)phenyl]-3-methylbenzamide is sourced from PubChem (CID 99140359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).