N-(2-chloroethyl)-N-cyclobutyl-3,5-dimethylbenzamide

C15H20ClNO — CID 102872881

IUPACN-(2-chloroethyl)-N-cyclobutyl-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)N(CCCl)C2CCC2)c1
InChIInChI=1S/C15H20ClNO/c1-11-8-12(2)10-13(9-11)15(18)17(7-6-16)14-4-3-5-14/h8-10,14H,3-7H2,1-2H3
InChIKeyNBTFPKWQBRKZFI-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.54
Rot. Bonds4

About N-(2-chloroethyl)-N-cyclobutyl-3,5-dimethylbenzamide

N-(2-chloroethyl)-N-cyclobutyl-3,5-dimethylbenzamide (PubChem CID 102872881) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclobutyl-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclobutyl-3,5-dimethylbenzamide
PubChem CID102872881
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC NameN-(2-chloroethyl)-N-cyclobutyl-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)N(CCCl)C2CCC2)c1
InChIInChI=1S/C15H20ClNO/c1-11-8-12(2)10-13(9-11)15(18)17(7-6-16)14-4-3-5-14/h8-10,14H,3-7H2,1-2H3
InChIKeyNBTFPKWQBRKZFI-UHFFFAOYSA-N
XLogP3.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(2-chloroethyl)-N-cyclobutyl-3,5-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

3-chloro-N-(2-chloroethyl)-N-cyclohexyl-5-methylbenzamide
CID 81324250
N-cyclopentyl-N-(2-hydroxyethyl)-3,5-dimethylbenzamide
CID 54993921
N-(2-aminoethyl)-N-cyclopentyl-3,5-dimethylbenzamide
CID 63755882
3,5-dichloro-N-(2-chloroethyl)-N-cyclopentylbenzamide
CID 63391832
3,5-dibromo-N-(2-chloroethyl)-N-cyclobutylbenzamide
CID 107975422
N-(2-chloroethyl)-N-cyclohexyl-2,4,6-trimethylbenzamide
CID 63391701
3,5-dichloro-N-(2-chloroethyl)-N-cyclohexylbenzamide
CID 63391653
N-(2-amino-2-oxoethyl)-N-cyclopentyl-3,5-dimethylbenzamide
CID 47212500
N-(2-bromoethyl)-N-cyclobutyl-3-fluoro-5-methylbenzamide
CID 102873053
N-(2-chloroethyl)-N-cyclopropyl-3,5-difluorobenzamide
CID 63394666
3-bromo-N-(2-chloroethyl)-N-cyclobutyl-4-methylbenzamide
CID 102872550
3-bromo-N-cyclopentyl-N-(2-hydroxyethyl)-5-methylbenzamide
CID 104852405

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclobutyl-3,5-dimethylbenzamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclobutyl-3,5-dimethylbenzamide (CID 102872881) is N-(2-chloroethyl)-N-cyclobutyl-3,5-dimethylbenzamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclobutyl-3,5-dimethylbenzamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclobutyl-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)N(CCCl)C2CCC2)c1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclobutyl-3,5-dimethylbenzamide?
The InChIKey is NBTFPKWQBRKZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-11-8-12(2)10-13(9-11)15(18)17(7-6-16)14-4-3-5-14/h8-10,14H,3-7H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-N-cyclobutyl-3,5-dimethylbenzamide?
N-(2-chloroethyl)-N-cyclobutyl-3,5-dimethylbenzamide has a molecular weight of 265.78 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclobutyl-3,5-dimethylbenzamide is sourced from PubChem (CID 102872881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).