(2-chloro-4-fluorophenyl)-(3-propylphenyl)methanone

C16H14ClFO — CID 116543192

IUPAC(2-chloro-4-fluorophenyl)-(3-propylphenyl)methanone
SMILESCCCc1cccc(C(=O)c2ccc(F)cc2Cl)c1
InChIInChI=1S/C16H14ClFO/c1-2-4-11-5-3-6-12(9-11)16(19)14-8-7-13(18)10-15(14)17/h3,5-10H,2,4H2,1H3
InChIKeyGFONPMVMHLVGSS-UHFFFAOYSA-N
MW276.74 g/mol
LogP4.66
Rot. Bonds4

About (2-chloro-4-fluorophenyl)-(3-propylphenyl)methanone

(2-chloro-4-fluorophenyl)-(3-propylphenyl)methanone (PubChem CID 116543192) has the molecular formula C16H14ClFO and a molecular weight of 276.74 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)-(3-propylphenyl)methanone.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)-(3-propylphenyl)methanone
PubChem CID116543192
Molecular FormulaC16H14ClFO
Molecular Weight276.74 g/mol
Exact Mass276.07
IUPAC Name(2-chloro-4-fluorophenyl)-(3-propylphenyl)methanone
SMILESCCCc1cccc(C(=O)c2ccc(F)cc2Cl)c1
InChIInChI=1S/C16H14ClFO/c1-2-4-11-5-3-6-12(9-11)16(19)14-8-7-13(18)10-15(14)17/h3,5-10H,2,4H2,1H3
InChIKeyGFONPMVMHLVGSS-UHFFFAOYSA-N
XLogP4.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.74
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2-chloro-4-fluorophenyl)-(3-propylphenyl)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

(2,4-dichlorophenyl)-(3-propylphenyl)methanone
CID 115812034
(2-chloro-4-fluorophenyl)-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 24725046
(2-chloro-4-fluorophenyl)-[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724703
(3-bromo-2-chlorophenyl)-(3-propylphenyl)methanone
CID 115812265
(2-fluoro-4-methoxyphenyl)-(3-propylphenyl)methanone
CID 116543424
(4-amino-3,5-dichlorophenyl)-(3-propylphenyl)methanone
CID 116609874
(2,4-dichlorophenyl)-(3-fluorophenyl)methanone
CID 61271846
N-(4-fluorophenyl)-3-propylbenzamide
CID 67124945
(2-tert-butylphenyl)-(3-propylphenyl)methanone
CID 115812250
(2-chloro-4-fluorophenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 43338130
(2,4-dimethoxyphenyl)-(3-propylphenyl)methanone
CID 115812154
(3,5-dimethylphenyl)-(3-propylphenyl)methanone
CID 115811990

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)-(3-propylphenyl)methanone?
The IUPAC name of (2-chloro-4-fluorophenyl)-(3-propylphenyl)methanone (CID 116543192) is (2-chloro-4-fluorophenyl)-(3-propylphenyl)methanone.
What is the SMILES notation for (2-chloro-4-fluorophenyl)-(3-propylphenyl)methanone?
The canonical SMILES for (2-chloro-4-fluorophenyl)-(3-propylphenyl)methanone is CCCc1cccc(C(=O)c2ccc(F)cc2Cl)c1.
What is the InChIKey of (2-chloro-4-fluorophenyl)-(3-propylphenyl)methanone?
The InChIKey is GFONPMVMHLVGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO/c1-2-4-11-5-3-6-12(9-11)16(19)14-8-7-13(18)10-15(14)17/h3,5-10H,2,4H2,1H3.
What are the key properties of (2-chloro-4-fluorophenyl)-(3-propylphenyl)methanone?
(2-chloro-4-fluorophenyl)-(3-propylphenyl)methanone has a molecular weight of 276.74 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluorophenyl)-(3-propylphenyl)methanone is sourced from PubChem (CID 116543192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).