(3-chloro-4-methylphenyl)-pyrrolidin-1-ylmethanone

C12H14ClNO — CID 1121352

IUPAC(3-chloro-4-methylphenyl)-pyrrolidin-1-ylmethanone
SMILESCc1ccc(C(=O)N2CCCC2)cc1Cl
InChIInChI=1S/C12H14ClNO/c1-9-4-5-10(8-11(9)13)12(15)14-6-2-3-7-14/h4-5,8H,2-3,6-7H2,1H3
InChIKeyHFFZQMZTQAVWHS-UHFFFAOYSA-N
MW223.70 g/mol
LogP2.88
Rot. Bonds1

About (3-chloro-4-methylphenyl)-pyrrolidin-1-ylmethanone

(3-chloro-4-methylphenyl)-pyrrolidin-1-ylmethanone (PubChem CID 1121352) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is (3-chloro-4-methylphenyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(3-chloro-4-methylphenyl)-pyrrolidin-1-ylmethanone
PubChem CID1121352
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name(3-chloro-4-methylphenyl)-pyrrolidin-1-ylmethanone
SMILESCc1ccc(C(=O)N2CCCC2)cc1Cl
InChIInChI=1S/C12H14ClNO/c1-9-4-5-10(8-11(9)13)12(15)14-6-2-3-7-14/h4-5,8H,2-3,6-7H2,1H3
InChIKeyHFFZQMZTQAVWHS-UHFFFAOYSA-N
XLogP2.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3-chloro-4-methylphenyl)-pyrrolidin-1-ylmethanone 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)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224293
1-(3-chloro-4-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251452
(3-chloro-4-methylphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 807436
azocan-1-yl-(4-bromo-3-chlorophenyl)methanone
CID 80979397
azocan-1-yl-(3-chloro-4-iodophenyl)methanone
CID 103221109
(3-bromo-4-methylphenyl)-piperidin-1-ylmethanone
CID 675721
[4-(aminomethyl)piperidin-1-yl]-(3-chloro-4-methylphenyl)methanone
CID 63195172
1-(3-chloro-4-methylbenzoyl)pyrrolidine-3-carboxylic acid
CID 55162757
(3-chloro-4-methylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 143211757
(3-ethynyl-4-methylphenyl)-piperidin-1-ylmethanone
CID 154827556
3-(azepane-1-carbonyl)-N-(3-chloro-4-methylphenyl)benzamide
CID 109056704
azocan-1-yl-(3-bromo-4-chlorophenyl)methanone
CID 103841525

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylphenyl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (3-chloro-4-methylphenyl)-pyrrolidin-1-ylmethanone (CID 1121352) is (3-chloro-4-methylphenyl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (3-chloro-4-methylphenyl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (3-chloro-4-methylphenyl)-pyrrolidin-1-ylmethanone is Cc1ccc(C(=O)N2CCCC2)cc1Cl.
What is the InChIKey of (3-chloro-4-methylphenyl)-pyrrolidin-1-ylmethanone?
The InChIKey is HFFZQMZTQAVWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c1-9-4-5-10(8-11(9)13)12(15)14-6-2-3-7-14/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of (3-chloro-4-methylphenyl)-pyrrolidin-1-ylmethanone?
(3-chloro-4-methylphenyl)-pyrrolidin-1-ylmethanone has a molecular weight of 223.70 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylphenyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 1121352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).