(3-chloro-4-methylphenyl)-[3-[(4-chlorophenyl)methyl]azetidin-1-yl]methanone

C18H17Cl2NO — CID 166317902

IUPAC(3-chloro-4-methylphenyl)-[3-[(4-chlorophenyl)methyl]azetidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CC(Cc3ccc(Cl)cc3)C2)cc1Cl
InChIInChI=1S/C18H17Cl2NO/c1-12-2-5-15(9-17(12)20)18(22)21-10-14(11-21)8-13-3-6-16(19)7-4-13/h2-7,9,14H,8,10-11H2,1H3
InChIKeySYSQJIFMUFKCHN-UHFFFAOYSA-N
MW334.25 g/mol
LogP4.62
Rot. Bonds3

About (3-chloro-4-methylphenyl)-[3-[(4-chlorophenyl)methyl]azetidin-1-yl]methanone

(3-chloro-4-methylphenyl)-[3-[(4-chlorophenyl)methyl]azetidin-1-yl]methanone (PubChem CID 166317902) has the molecular formula C18H17Cl2NO and a molecular weight of 334.25 g/mol. Its IUPAC name is (3-chloro-4-methylphenyl)-[3-[(4-chlorophenyl)methyl]azetidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chloro-4-methylphenyl)-[3-[(4-chlorophenyl)methyl]azetidin-1-yl]methanone
PubChem CID166317902
Molecular FormulaC18H17Cl2NO
Molecular Weight334.25 g/mol
Exact Mass333.07
IUPAC Name(3-chloro-4-methylphenyl)-[3-[(4-chlorophenyl)methyl]azetidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CC(Cc3ccc(Cl)cc3)C2)cc1Cl
InChIInChI=1S/C18H17Cl2NO/c1-12-2-5-15(9-17(12)20)18(22)21-10-14(11-21)8-13-3-6-16(19)7-4-13/h2-7,9,14H,8,10-11H2,1H3
InChIKeySYSQJIFMUFKCHN-UHFFFAOYSA-N
XLogP4.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.25
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3-chloro-4-methylphenyl)-[3-[(4-chlorophenyl)methyl]azetidin-1-yl]methanone 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-4-methylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 143211757
(3-chloro-4-methylphenyl)-pyrrolidin-1-ylmethanone
CID 1121352
[4-(aminomethyl)piperidin-1-yl]-(3-chloro-4-methylphenyl)methanone
CID 63195172
(2,6-dichloro-4-pyridinyl)-[3-[(3,4-difluorophenyl)methyl]azetidin-1-yl]methanone
CID 154841153
(3-chloro-4-methylphenyl)-[(3R)-3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]methanone
CID 96568375
1-(3-chloro-4-methylbenzoyl)pyrrolidine-3-carboxylic acid
CID 55162757
(3-chloro-4-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224293
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(3-chloro-4-methylphenyl)methanone
CID 114781128
3-[3-[(4-chlorophenyl)methyl]pyrrolidine-1-carbonyl]benzonitrile
CID 166617874
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(3-chloro-4-methylphenyl)methanone;hydrochloride
CID 120749127
[3-(aminomethyl)pyrrolidin-1-yl]-(3-chloro-4-fluorophenyl)methanone
CID 82878692
[3-(bromomethyl)pyrrolidin-1-yl]-(3-chloro-4-fluorophenyl)methanone
CID 82880080

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylphenyl)-[3-[(4-chlorophenyl)methyl]azetidin-1-yl]methanone?
The IUPAC name of (3-chloro-4-methylphenyl)-[3-[(4-chlorophenyl)methyl]azetidin-1-yl]methanone (CID 166317902) is (3-chloro-4-methylphenyl)-[3-[(4-chlorophenyl)methyl]azetidin-1-yl]methanone.
What is the SMILES notation for (3-chloro-4-methylphenyl)-[3-[(4-chlorophenyl)methyl]azetidin-1-yl]methanone?
The canonical SMILES for (3-chloro-4-methylphenyl)-[3-[(4-chlorophenyl)methyl]azetidin-1-yl]methanone is Cc1ccc(C(=O)N2CC(Cc3ccc(Cl)cc3)C2)cc1Cl.
What is the InChIKey of (3-chloro-4-methylphenyl)-[3-[(4-chlorophenyl)methyl]azetidin-1-yl]methanone?
The InChIKey is SYSQJIFMUFKCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO/c1-12-2-5-15(9-17(12)20)18(22)21-10-14(11-21)8-13-3-6-16(19)7-4-13/h2-7,9,14H,8,10-11H2,1H3.
What are the key properties of (3-chloro-4-methylphenyl)-[3-[(4-chlorophenyl)methyl]azetidin-1-yl]methanone?
(3-chloro-4-methylphenyl)-[3-[(4-chlorophenyl)methyl]azetidin-1-yl]methanone has a molecular weight of 334.25 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylphenyl)-[3-[(4-chlorophenyl)methyl]azetidin-1-yl]methanone is sourced from PubChem (CID 166317902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).