2-chloro-4-fluoro-N-(3-methylphenyl)aniline

C13H11ClFN — CID 46180497

IUPAC2-chloro-4-fluoro-N-(3-methylphenyl)aniline
SMILESCc1cccc(Nc2ccc(F)cc2Cl)c1
InChIInChI=1S/C13H11ClFN/c1-9-3-2-4-11(7-9)16-13-6-5-10(15)8-12(13)14/h2-8,16H,1H3
InChIKeyWQODBDUELKJKKW-UHFFFAOYSA-N
MW235.69 g/mol
LogP4.53
Rot. Bonds2

About 2-chloro-4-fluoro-N-(3-methylphenyl)aniline

2-chloro-4-fluoro-N-(3-methylphenyl)aniline (PubChem CID 46180497) has the molecular formula C13H11ClFN and a molecular weight of 235.69 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-(3-methylphenyl)aniline.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-(3-methylphenyl)aniline
PubChem CID46180497
Molecular FormulaC13H11ClFN
Molecular Weight235.69 g/mol
Exact Mass235.06
IUPAC Name2-chloro-4-fluoro-N-(3-methylphenyl)aniline
SMILESCc1cccc(Nc2ccc(F)cc2Cl)c1
InChIInChI=1S/C13H11ClFN/c1-9-3-2-4-11(7-9)16-13-6-5-10(15)8-12(13)14/h2-8,16H,1H3
InChIKeyWQODBDUELKJKKW-UHFFFAOYSA-N
XLogP4.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.69
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-chloro-4-fluoro-N-(3-methylphenyl)aniline 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

N-(3-Methylphenyl)aniline
CID 14569
N-benzyl-4-chloroaniline
CID 76281
(E)-4-(2-chloro-6-fluorostyryl)-N-methylaniline
CID 57521314
N-(2-Chloro-5-methylphenyl)acetamide
CID 364844
(2,5-Dichlorophenyl)-(2,4,6-trimethylphenyl)-amine
CID 71562078
1-(2-Chlorophenyl)-3-(alpha,alpha,alpha-trifluoro-M-tolyl)urea
CID 4165705
2,6-Dichloro-N-phenylaniline
CID 84867
N-Phenyl-2-chloroaniline
CID 6425221
m,m'-Ditolylamine
CID 7016139
N-[(4-chlorophenyl)methyl]aniline
CID 10632581
N-(3,5-dichlorophenyl)-N-(2-fluorobenzyl)amine
CID 834546
(3-Chloro-4-fluoro-phenyl)-(2-fluoro-benzyl)-amine
CID 834562

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-(3-methylphenyl)aniline?
The IUPAC name of 2-chloro-4-fluoro-N-(3-methylphenyl)aniline (CID 46180497) is 2-chloro-4-fluoro-N-(3-methylphenyl)aniline.
What is the SMILES notation for 2-chloro-4-fluoro-N-(3-methylphenyl)aniline?
The canonical SMILES for 2-chloro-4-fluoro-N-(3-methylphenyl)aniline is Cc1cccc(Nc2ccc(F)cc2Cl)c1.
What is the InChIKey of 2-chloro-4-fluoro-N-(3-methylphenyl)aniline?
The InChIKey is WQODBDUELKJKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN/c1-9-3-2-4-11(7-9)16-13-6-5-10(15)8-12(13)14/h2-8,16H,1H3.
What are the key properties of 2-chloro-4-fluoro-N-(3-methylphenyl)aniline?
2-chloro-4-fluoro-N-(3-methylphenyl)aniline has a molecular weight of 235.69 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-(3-methylphenyl)aniline is sourced from PubChem (CID 46180497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).