N-[5-[(3-fluorobenzoyl)amino]-1-bicyclo[3.2.1]octanyl]-3-methylbenzamide

C23H25FN2O2 — CID 57406298

IUPACN-[5-[(3-fluorobenzoyl)amino]-1-bicyclo[3.2.1]octanyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC23CCCC(NC(=O)c4cccc(F)c4)(CC2)C3)c1
InChIInChI=1S/C23H25FN2O2/c1-16-5-2-6-17(13-16)20(27)25-22-9-4-10-23(15-22,12-11-22)26-21(28)18-7-3-8-19(24)14-18/h2-3,5-8,13-14H,4,9-12,15H2,1H3,(H,25,27)(H,26,28)
InChIKeyOFFDPYKTULXYLG-UHFFFAOYSA-N
MW380.46 g/mol
LogP4.14
Rot. Bonds4

About N-[5-[(3-fluorobenzoyl)amino]-1-bicyclo[3.2.1]octanyl]-3-methylbenzamide

N-[5-[(3-fluorobenzoyl)amino]-1-bicyclo[3.2.1]octanyl]-3-methylbenzamide (PubChem CID 57406298) has the molecular formula C23H25FN2O2 and a molecular weight of 380.46 g/mol. Its IUPAC name is N-[5-[(3-fluorobenzoyl)amino]-1-bicyclo[3.2.1]octanyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[5-[(3-fluorobenzoyl)amino]-1-bicyclo[3.2.1]octanyl]-3-methylbenzamide
PubChem CID57406298
Molecular FormulaC23H25FN2O2
Molecular Weight380.46 g/mol
Exact Mass380.19
IUPAC NameN-[5-[(3-fluorobenzoyl)amino]-1-bicyclo[3.2.1]octanyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC23CCCC(NC(=O)c4cccc(F)c4)(CC2)C3)c1
InChIInChI=1S/C23H25FN2O2/c1-16-5-2-6-17(13-16)20(27)25-22-9-4-10-23(15-22,12-11-22)26-21(28)18-7-3-8-19(24)14-18/h2-3,5-8,13-14H,4,9-12,15H2,1H3,(H,25,27)(H,26,28)
InChIKeyOFFDPYKTULXYLG-UHFFFAOYSA-N
XLogP4.14
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[5-[(3-fluorobenzoyl)amino]-1-bicyclo[3.2.1]octanyl]-3-methylbenzamide 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-[(1S,5R)-5-amino-1-bicyclo[3.2.1]octanyl]-3-fluorobenzamide
CID 70497343
N-[5-[(3-methylbenzoyl)amino]-1-bicyclo[3.2.1]octanyl]pyridine-3-carboxamide
CID 70497716
(1S,5R)-5-[(3-methylbenzoyl)amino]bicyclo[3.2.1]octane-1-carboxamide
CID 70498375
3-fluoro-N-[5-(6-methyl-2-pyridinyl)-1-bicyclo[3.2.1]octanyl]benzamide
CID 130285049
2-methyl-N-[5-[(3-methylbenzoyl)amino]-1-bicyclo[3.2.1]octanyl]pyrimidine-4-carboxamide
CID 57406485
6-methyl-N-[5-[(3-methylbenzoyl)amino]-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide
CID 70497797
N-[1-(4-fluorophenyl)cyclobutyl]-3-methylbenzamide
CID 110441487
N-[3-[(3-fluorobenzoyl)amino]phenyl]-3-methylbenzamide
CID 46785922
1-[(3-fluorobenzoyl)amino]-3,3-dimethylcyclopentane-1-carboxylic acid
CID 166317351
N-[5-[(3-chlorobenzoyl)amino]-1-bicyclo[3.2.1]octanyl]-4-methylpyridine-2-carboxamide
CID 57406121
ethane;N-ethyl-3-methylbenzamide;1-fluoro-3-methylbenzene
CID 142892736
2-[1-[(3-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 79848230

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-fluorobenzoyl)amino]-1-bicyclo[3.2.1]octanyl]-3-methylbenzamide?
The IUPAC name of N-[5-[(3-fluorobenzoyl)amino]-1-bicyclo[3.2.1]octanyl]-3-methylbenzamide (CID 57406298) is N-[5-[(3-fluorobenzoyl)amino]-1-bicyclo[3.2.1]octanyl]-3-methylbenzamide.
What is the SMILES notation for N-[5-[(3-fluorobenzoyl)amino]-1-bicyclo[3.2.1]octanyl]-3-methylbenzamide?
The canonical SMILES for N-[5-[(3-fluorobenzoyl)amino]-1-bicyclo[3.2.1]octanyl]-3-methylbenzamide is Cc1cccc(C(=O)NC23CCCC(NC(=O)c4cccc(F)c4)(CC2)C3)c1.
What is the InChIKey of N-[5-[(3-fluorobenzoyl)amino]-1-bicyclo[3.2.1]octanyl]-3-methylbenzamide?
The InChIKey is OFFDPYKTULXYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O2/c1-16-5-2-6-17(13-16)20(27)25-22-9-4-10-23(15-22,12-11-22)26-21(28)18-7-3-8-19(24)14-18/h2-3,5-8,13-14H,4,9-12,15H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-[5-[(3-fluorobenzoyl)amino]-1-bicyclo[3.2.1]octanyl]-3-methylbenzamide?
N-[5-[(3-fluorobenzoyl)amino]-1-bicyclo[3.2.1]octanyl]-3-methylbenzamide has a molecular weight of 380.46 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-fluorobenzoyl)amino]-1-bicyclo[3.2.1]octanyl]-3-methylbenzamide is sourced from PubChem (CID 57406298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).