N-[(2-chlorophenyl)methyl]-N-methyl-8-oxobicyclo[3.2.1]octane-3-carboxamide

C17H20ClNO2 — CID 102560275

IUPACN-[(2-chlorophenyl)methyl]-N-methyl-8-oxobicyclo[3.2.1]octane-3-carboxamide
SMILESCN(Cc1ccccc1Cl)C(=O)C1CC2CCC(C1)C2=O
InChIInChI=1S/C17H20ClNO2/c1-19(10-13-4-2-3-5-15(13)18)17(21)14-8-11-6-7-12(9-14)16(11)20/h2-5,11-12,14H,6-10H2,1H3
InChIKeyXBNJEJMSEQRZQP-UHFFFAOYSA-N
MW305.80 g/mol
LogP3.30
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-N-methyl-8-oxobicyclo[3.2.1]octane-3-carboxamide

N-[(2-chlorophenyl)methyl]-N-methyl-8-oxobicyclo[3.2.1]octane-3-carboxamide (PubChem CID 102560275) has the molecular formula C17H20ClNO2 and a molecular weight of 305.80 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-methyl-8-oxobicyclo[3.2.1]octane-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-methyl-8-oxobicyclo[3.2.1]octane-3-carboxamide
PubChem CID102560275
Molecular FormulaC17H20ClNO2
Molecular Weight305.80 g/mol
Exact Mass305.12
IUPAC NameN-[(2-chlorophenyl)methyl]-N-methyl-8-oxobicyclo[3.2.1]octane-3-carboxamide
SMILESCN(Cc1ccccc1Cl)C(=O)C1CC2CCC(C1)C2=O
InChIInChI=1S/C17H20ClNO2/c1-19(10-13-4-2-3-5-15(13)18)17(21)14-8-11-6-7-12(9-14)16(11)20/h2-5,11-12,14H,6-10H2,1H3
InChIKeyXBNJEJMSEQRZQP-UHFFFAOYSA-N
XLogP3.30
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.80
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[(2-chlorophenyl)methyl]-N-methyl-8-oxobicyclo[3.2.1]octane-3-carboxamide 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-chlorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119267609
N-[(2-chlorophenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 54869026
N-[(2-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119267602
2-amino-N-[(2-chlorophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119682653
(2S)-N-[(2-chlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61163671
1-[(2-chlorophenyl)methyl]-1-methylurea
CID 60703173
N-[(2-chlorophenyl)methyl]-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 27773929
N-[(2-chlorophenyl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119267603
4-N-benzyl-1-N-[(2-chlorophenyl)methyl]-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109148273
(2S,4S)-N-[(2,3-dichlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
CID 120617441
N-[(2-chlorophenyl)methyl]-2-ethyl-N-methylbutanamide
CID 78768741
(3S)-N-[(2-chlorophenyl)methyl]-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 30247534

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-methyl-8-oxobicyclo[3.2.1]octane-3-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-methyl-8-oxobicyclo[3.2.1]octane-3-carboxamide (CID 102560275) is N-[(2-chlorophenyl)methyl]-N-methyl-8-oxobicyclo[3.2.1]octane-3-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-methyl-8-oxobicyclo[3.2.1]octane-3-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-methyl-8-oxobicyclo[3.2.1]octane-3-carboxamide is CN(Cc1ccccc1Cl)C(=O)C1CC2CCC(C1)C2=O.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-methyl-8-oxobicyclo[3.2.1]octane-3-carboxamide?
The InChIKey is XBNJEJMSEQRZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-19(10-13-4-2-3-5-15(13)18)17(21)14-8-11-6-7-12(9-14)16(11)20/h2-5,11-12,14H,6-10H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-N-methyl-8-oxobicyclo[3.2.1]octane-3-carboxamide?
N-[(2-chlorophenyl)methyl]-N-methyl-8-oxobicyclo[3.2.1]octane-3-carboxamide has a molecular weight of 305.80 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-methyl-8-oxobicyclo[3.2.1]octane-3-carboxamide is sourced from PubChem (CID 102560275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).