(3-chloro-4-methylphenyl)-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]methanone

C19H19Cl2NO — CID 59278521

IUPAC(3-chloro-4-methylphenyl)-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]methanone
SMILESCc1ccc(C(=O)c2ccc(CN3CCCC3)c(Cl)c2)cc1Cl
InChIInChI=1S/C19H19Cl2NO/c1-13-4-5-14(10-17(13)20)19(23)15-6-7-16(18(21)11-15)12-22-8-2-3-9-22/h4-7,10-11H,2-3,8-9,12H2,1H3
InChIKeySRNKCIIXKPIQHS-UHFFFAOYSA-N
MW348.27 g/mol
LogP5.13
Rot. Bonds4

About (3-chloro-4-methylphenyl)-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]methanone

(3-chloro-4-methylphenyl)-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]methanone (PubChem CID 59278521) has the molecular formula C19H19Cl2NO and a molecular weight of 348.27 g/mol. Its IUPAC name is (3-chloro-4-methylphenyl)-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name(3-chloro-4-methylphenyl)-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]methanone
PubChem CID59278521
Molecular FormulaC19H19Cl2NO
Molecular Weight348.27 g/mol
Exact Mass347.08
IUPAC Name(3-chloro-4-methylphenyl)-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]methanone
SMILESCc1ccc(C(=O)c2ccc(CN3CCCC3)c(Cl)c2)cc1Cl
InChIInChI=1S/C19H19Cl2NO/c1-13-4-5-14(10-17(13)20)19(23)15-6-7-16(18(21)11-15)12-22-8-2-3-9-22/h4-7,10-11H,2-3,8-9,12H2,1H3
InChIKeySRNKCIIXKPIQHS-UHFFFAOYSA-N
XLogP5.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.27
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3-chloro-4-methylphenyl)-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]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

methyl 3-chloro-4-(pyrrolidin-1-ylmethyl)benzoate
CID 21182738
2-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoacetic acid
CID 117422866
1-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]propan-2-one
CID 117382848
4-(azocan-1-ylmethyl)-3-chloro-N'-hydroxybenzenecarboximidamide
CID 102666797
(3,4-dimethylphenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone
CID 24725201
(3,4-dimethylphenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24724806
3-chloro-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]benzoic acid
CID 102669952
(3-chloro-4-methylphenyl)-pyrrolidin-1-ylmethanone
CID 1121352
3-chloro-4-[(4-propylazepan-1-yl)methyl]benzoic acid
CID 102669988
3-chloro-4-[(4,4-diethylpiperidin-1-yl)methyl]benzoic acid
CID 102669962
3-chloro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]benzoic acid;hydrochloride
CID 166594023
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 19294943

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylphenyl)-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]methanone?
The IUPAC name of (3-chloro-4-methylphenyl)-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]methanone (CID 59278521) is (3-chloro-4-methylphenyl)-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]methanone.
What is the SMILES notation for (3-chloro-4-methylphenyl)-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]methanone?
The canonical SMILES for (3-chloro-4-methylphenyl)-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]methanone is Cc1ccc(C(=O)c2ccc(CN3CCCC3)c(Cl)c2)cc1Cl.
What is the InChIKey of (3-chloro-4-methylphenyl)-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]methanone?
The InChIKey is SRNKCIIXKPIQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO/c1-13-4-5-14(10-17(13)20)19(23)15-6-7-16(18(21)11-15)12-22-8-2-3-9-22/h4-7,10-11H,2-3,8-9,12H2,1H3.
What are the key properties of (3-chloro-4-methylphenyl)-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]methanone?
(3-chloro-4-methylphenyl)-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]methanone has a molecular weight of 348.27 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylphenyl)-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 59278521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).