(3-chloro-4-fluorophenyl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanone

C16H9Cl2FO2 — CID 63549321

IUPAC(3-chloro-4-fluorophenyl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanone
SMILESCc1c(C(=O)c2ccc(F)c(Cl)c2)oc2ccc(Cl)cc12
InChIInChI=1S/C16H9Cl2FO2/c1-8-11-7-10(17)3-5-14(11)21-16(8)15(20)9-2-4-13(19)12(18)6-9/h2-7H,1H3
InChIKeyHTMIUYLOVHRAKB-UHFFFAOYSA-N
MW323.15 g/mol
LogP5.42
Rot. Bonds2

About (3-chloro-4-fluorophenyl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanone

(3-chloro-4-fluorophenyl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanone (PubChem CID 63549321) has the molecular formula C16H9Cl2FO2 and a molecular weight of 323.15 g/mol. Its IUPAC name is (3-chloro-4-fluorophenyl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(3-chloro-4-fluorophenyl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanone
PubChem CID63549321
Molecular FormulaC16H9Cl2FO2
Molecular Weight323.15 g/mol
Exact Mass322.00
IUPAC Name(3-chloro-4-fluorophenyl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanone
SMILESCc1c(C(=O)c2ccc(F)c(Cl)c2)oc2ccc(Cl)cc12
InChIInChI=1S/C16H9Cl2FO2/c1-8-11-7-10(17)3-5-14(11)21-16(8)15(20)9-2-4-13(19)12(18)6-9/h2-7H,1H3
InChIKeyHTMIUYLOVHRAKB-UHFFFAOYSA-N
XLogP5.42
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.15
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3-chloro-4-fluorophenyl)-(5-chloro-3-methyl-1-benzofuran-2-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

4-(5-chloro-3-methyl-1-benzofuran-2-carbonyl)benzonitrile
CID 60711298
(3-bromophenyl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanone
CID 60706471
(2,5-dichlorophenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 78907025
(5-bromo-3-methyl-1-benzofuran-2-yl)-(3,4-dichlorophenyl)methanone
CID 2767305
(3-bromo-4-fluorophenyl)-(3,5-dimethyl-1-benzofuran-2-yl)methanone
CID 63545779
(3,4-dimethylphenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 112723127
bis(3-chloro-4-fluorophenyl)methanone
CID 2740703
(3,4-dichlorophenyl)-(3,6-dimethyl-1-benzofuran-2-yl)methanone
CID 60706257
(5-fluoro-3-methyl-1-benzofuran-2-yl)-(4-iodophenyl)methanone
CID 103606798
(4-chlorophenyl)-(5,7-dichloro-3-methyl-1-benzofuran-2-yl)methanone
CID 2797713
(2,5-difluorophenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 112723135
(5,7-dichloro-3-methyl-1-benzofuran-2-yl)-(4-fluorophenyl)methanone
CID 2768992

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-fluorophenyl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of (3-chloro-4-fluorophenyl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanone (CID 63549321) is (3-chloro-4-fluorophenyl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (3-chloro-4-fluorophenyl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for (3-chloro-4-fluorophenyl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanone is Cc1c(C(=O)c2ccc(F)c(Cl)c2)oc2ccc(Cl)cc12.
What is the InChIKey of (3-chloro-4-fluorophenyl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is HTMIUYLOVHRAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2FO2/c1-8-11-7-10(17)3-5-14(11)21-16(8)15(20)9-2-4-13(19)12(18)6-9/h2-7H,1H3.
What are the key properties of (3-chloro-4-fluorophenyl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanone?
(3-chloro-4-fluorophenyl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanone has a molecular weight of 323.15 g/mol, XLogP of 5.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-fluorophenyl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 63549321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).