N-(3-chloro-4-methylphenyl)-1-(2-methoxyphenyl)cyclobutane-1-carboxamide

C19H20ClNO2 — CID 110439021

IUPACN-(3-chloro-4-methylphenyl)-1-(2-methoxyphenyl)cyclobutane-1-carboxamide
SMILESCOc1ccccc1C1(C(=O)Nc2ccc(C)c(Cl)c2)CCC1
InChIInChI=1S/C19H20ClNO2/c1-13-8-9-14(12-16(13)20)21-18(22)19(10-5-11-19)15-6-3-4-7-17(15)23-2/h3-4,6-9,12H,5,10-11H2,1-2H3,(H,21,22)
InChIKeyHELFFBOSQWLYHH-UHFFFAOYSA-N
MW329.83 g/mol
LogP4.72
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-1-(2-methoxyphenyl)cyclobutane-1-carboxamide

N-(3-chloro-4-methylphenyl)-1-(2-methoxyphenyl)cyclobutane-1-carboxamide (PubChem CID 110439021) has the molecular formula C19H20ClNO2 and a molecular weight of 329.83 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-1-(2-methoxyphenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-1-(2-methoxyphenyl)cyclobutane-1-carboxamide
PubChem CID110439021
Molecular FormulaC19H20ClNO2
Molecular Weight329.83 g/mol
Exact Mass329.12
IUPAC NameN-(3-chloro-4-methylphenyl)-1-(2-methoxyphenyl)cyclobutane-1-carboxamide
SMILESCOc1ccccc1C1(C(=O)Nc2ccc(C)c(Cl)c2)CCC1
InChIInChI=1S/C19H20ClNO2/c1-13-8-9-14(12-16(13)20)21-18(22)19(10-5-11-19)15-6-3-4-7-17(15)23-2/h3-4,6-9,12H,5,10-11H2,1-2H3,(H,21,22)
InChIKeyHELFFBOSQWLYHH-UHFFFAOYSA-N
XLogP4.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-chloro-4-methylphenyl)-1-(2-methoxyphenyl)cyclobutane-1-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

5-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]-2-methylbenzoic acid
CID 119255092
N-(3-chloro-4-methylphenyl)-1-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 110439353
N-(3-chloro-4-methylphenyl)-1-phenylcyclobutane-1-carboxamide
CID 110438526
1-(2-methoxyphenyl)-N-(3-methoxyphenyl)cyclobutane-1-carboxamide
CID 110439026
1-(2-chlorophenyl)-N-(4-methoxy-3-methylphenyl)cyclohexane-1-carboxamide
CID 100676610
1-(2-methoxyphenyl)-N-pyridin-4-ylcyclobutane-1-carboxamide
CID 110439711
N-(4-acetylphenyl)-1-(2-methoxyphenyl)cyclobutane-1-carboxamide
CID 110439041
methyl 4-[[1-(2-methoxyphenyl)cyclobutanecarbonyl]amino]benzoate
CID 110439045
N-(4-chloro-2-methylphenyl)-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 110438923
N-(2-chloro-4,6-dimethylphenyl)-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 110438924
1-(2-methoxyphenyl)-N-(2-methyl-4-pyridinyl)cyclopropane-1-carboxamide
CID 110439650
3-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]-4-methylbenzoic acid
CID 119219323

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-1-(2-methoxyphenyl)cyclobutane-1-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-1-(2-methoxyphenyl)cyclobutane-1-carboxamide (CID 110439021) is N-(3-chloro-4-methylphenyl)-1-(2-methoxyphenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-1-(2-methoxyphenyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-1-(2-methoxyphenyl)cyclobutane-1-carboxamide is COc1ccccc1C1(C(=O)Nc2ccc(C)c(Cl)c2)CCC1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-1-(2-methoxyphenyl)cyclobutane-1-carboxamide?
The InChIKey is HELFFBOSQWLYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO2/c1-13-8-9-14(12-16(13)20)21-18(22)19(10-5-11-19)15-6-3-4-7-17(15)23-2/h3-4,6-9,12H,5,10-11H2,1-2H3,(H,21,22).
What are the key properties of N-(3-chloro-4-methylphenyl)-1-(2-methoxyphenyl)cyclobutane-1-carboxamide?
N-(3-chloro-4-methylphenyl)-1-(2-methoxyphenyl)cyclobutane-1-carboxamide has a molecular weight of 329.83 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-1-(2-methoxyphenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 110439021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).