N-(2-cyclohexylethyl)-2-[(2-fluorobenzoyl)amino]-N,3-dimethylbenzamide

C24H29FN2O2 — CID 86878946

IUPACN-(2-cyclohexylethyl)-2-[(2-fluorobenzoyl)amino]-N,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(C)CCC2CCCCC2)c1NC(=O)c1ccccc1F
InChIInChI=1S/C24H29FN2O2/c1-17-9-8-13-20(22(17)26-23(28)19-12-6-7-14-21(19)25)24(29)27(2)16-15-18-10-4-3-5-11-18/h6-9,12-14,18H,3-5,10-11,15-16H2,1-2H3,(H,26,28)
InChIKeyVGVRBMZOFIPBDV-UHFFFAOYSA-N
MW396.51 g/mol
LogP5.43
Rot. Bonds6

About N-(2-cyclohexylethyl)-2-[(2-fluorobenzoyl)amino]-N,3-dimethylbenzamide

N-(2-cyclohexylethyl)-2-[(2-fluorobenzoyl)amino]-N,3-dimethylbenzamide (PubChem CID 86878946) has the molecular formula C24H29FN2O2 and a molecular weight of 396.51 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-2-[(2-fluorobenzoyl)amino]-N,3-dimethylbenzamide.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-2-[(2-fluorobenzoyl)amino]-N,3-dimethylbenzamide
PubChem CID86878946
Molecular FormulaC24H29FN2O2
Molecular Weight396.51 g/mol
Exact Mass396.22
IUPAC NameN-(2-cyclohexylethyl)-2-[(2-fluorobenzoyl)amino]-N,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(C)CCC2CCCCC2)c1NC(=O)c1ccccc1F
InChIInChI=1S/C24H29FN2O2/c1-17-9-8-13-20(22(17)26-23(28)19-12-6-7-14-21(19)25)24(29)27(2)16-15-18-10-4-3-5-11-18/h6-9,12-14,18H,3-5,10-11,15-16H2,1-2H3,(H,26,28)
InChIKeyVGVRBMZOFIPBDV-UHFFFAOYSA-N
XLogP5.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.51
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-cyclohexylethyl)-2-[(2-fluorobenzoyl)amino]-N,3-dimethylbenzamide 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-(2,6-dimethylphenyl)-2-fluorobenzamide
CID 4097270
2-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
CID 115909344
2-amino-N-(2-cyclohexylethyl)-N-methylbenzamide
CID 119945212
N-(2-amino-1-cyclohexylethyl)-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride
CID 119592070
2-[(2-fluorobenzoyl)amino]-3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119538084
2-[(2-fluorobenzoyl)amino]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methylbenzamide;hydrochloride
CID 120945848
[(2R)-oxolan-2-yl]methyl 2-[(2-fluorobenzoyl)amino]-3-methylbenzoate
CID 97007291
N-[2-(aminomethyl)cyclopentyl]-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride
CID 119605190
oxolan-2-ylmethyl 2-[(2-fluorobenzoyl)amino]-3-methylbenzoate
CID 71887688
5-amino-N-(2-cyclohexylethyl)-N,2-dimethylbenzamide
CID 120629879
N-(2-amino-1-cyclopropylethyl)-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride
CID 119617713
2-[(2-fluorobenzoyl)amino]-3-methyl-N-[(3S)-thian-3-yl]benzamide
CID 97319528

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-2-[(2-fluorobenzoyl)amino]-N,3-dimethylbenzamide?
The IUPAC name of N-(2-cyclohexylethyl)-2-[(2-fluorobenzoyl)amino]-N,3-dimethylbenzamide (CID 86878946) is N-(2-cyclohexylethyl)-2-[(2-fluorobenzoyl)amino]-N,3-dimethylbenzamide.
What is the SMILES notation for N-(2-cyclohexylethyl)-2-[(2-fluorobenzoyl)amino]-N,3-dimethylbenzamide?
The canonical SMILES for N-(2-cyclohexylethyl)-2-[(2-fluorobenzoyl)amino]-N,3-dimethylbenzamide is Cc1cccc(C(=O)N(C)CCC2CCCCC2)c1NC(=O)c1ccccc1F.
What is the InChIKey of N-(2-cyclohexylethyl)-2-[(2-fluorobenzoyl)amino]-N,3-dimethylbenzamide?
The InChIKey is VGVRBMZOFIPBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O2/c1-17-9-8-13-20(22(17)26-23(28)19-12-6-7-14-21(19)25)24(29)27(2)16-15-18-10-4-3-5-11-18/h6-9,12-14,18H,3-5,10-11,15-16H2,1-2H3,(H,26,28).
What are the key properties of N-(2-cyclohexylethyl)-2-[(2-fluorobenzoyl)amino]-N,3-dimethylbenzamide?
N-(2-cyclohexylethyl)-2-[(2-fluorobenzoyl)amino]-N,3-dimethylbenzamide has a molecular weight of 396.51 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-2-[(2-fluorobenzoyl)amino]-N,3-dimethylbenzamide is sourced from PubChem (CID 86878946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).