3-chloro-4-fluoro-N-(5-fluoro-2-methoxyphenyl)aniline

C13H10ClF2NO — CID 82536190

IUPAC3-chloro-4-fluoro-N-(5-fluoro-2-methoxyphenyl)aniline
SMILESCOc1ccc(F)cc1Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H10ClF2NO/c1-18-13-5-2-8(15)6-12(13)17-9-3-4-11(16)10(14)7-9/h2-7,17H,1H3
InChIKeyXXSWLARYTDLGCI-UHFFFAOYSA-N
MW269.68 g/mol
LogP4.37
Rot. Bonds3

About 3-chloro-4-fluoro-N-(5-fluoro-2-methoxyphenyl)aniline

3-chloro-4-fluoro-N-(5-fluoro-2-methoxyphenyl)aniline (PubChem CID 82536190) has the molecular formula C13H10ClF2NO and a molecular weight of 269.68 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-(5-fluoro-2-methoxyphenyl)aniline.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-(5-fluoro-2-methoxyphenyl)aniline
PubChem CID82536190
Molecular FormulaC13H10ClF2NO
Molecular Weight269.68 g/mol
Exact Mass269.04
IUPAC Name3-chloro-4-fluoro-N-(5-fluoro-2-methoxyphenyl)aniline
SMILESCOc1ccc(F)cc1Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H10ClF2NO/c1-18-13-5-2-8(15)6-12(13)17-9-3-4-11(16)10(14)7-9/h2-7,17H,1H3
InChIKeyXXSWLARYTDLGCI-UHFFFAOYSA-N
XLogP4.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.68
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-chloro-4-fluoro-N-(5-fluoro-2-methoxyphenyl)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

3,4-difluoro-N-(5-fluoro-2-methoxyphenyl)aniline
CID 82536880
5-fluoro-N-(4-fluorophenyl)-2-methoxyaniline
CID 82537214
5-fluoro-N-(3-fluorophenyl)-2-methoxyaniline
CID 82537168
5-fluoro-2-methoxy-N-(3-methoxyphenyl)aniline
CID 82537043
2-(3-chloro-4-methoxyanilino)-5-fluorobenzonitrile
CID 55231919
2-N-(3-chloro-4-fluorophenyl)-4-N-(5-chloro-2-methoxyphenyl)pyrimidine-2,4-diamine
CID 112904156
3-N-(3-chloro-4-fluorophenyl)-5-N-(5-chloro-2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112966663
2-(3-chloro-4-methoxyanilino)-5-fluorobenzenecarbothioamide
CID 63674872
1-[4-(5-fluoro-2-methoxyanilino)phenyl]ethanone
CID 82536658
N-(3-chloro-4-fluorophenyl)-6,7-dimethoxyquinolin-4-amine
CID 24999709
5-chloro-N-(3-chlorophenyl)-2-methoxyaniline
CID 82536935
4-chloro-5-fluoro-1-N-(4-fluoro-3-methoxyphenyl)benzene-1,2-diamine
CID 114837240

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-(5-fluoro-2-methoxyphenyl)aniline?
The IUPAC name of 3-chloro-4-fluoro-N-(5-fluoro-2-methoxyphenyl)aniline (CID 82536190) is 3-chloro-4-fluoro-N-(5-fluoro-2-methoxyphenyl)aniline.
What is the SMILES notation for 3-chloro-4-fluoro-N-(5-fluoro-2-methoxyphenyl)aniline?
The canonical SMILES for 3-chloro-4-fluoro-N-(5-fluoro-2-methoxyphenyl)aniline is COc1ccc(F)cc1Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-(5-fluoro-2-methoxyphenyl)aniline?
The InChIKey is XXSWLARYTDLGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2NO/c1-18-13-5-2-8(15)6-12(13)17-9-3-4-11(16)10(14)7-9/h2-7,17H,1H3.
What are the key properties of 3-chloro-4-fluoro-N-(5-fluoro-2-methoxyphenyl)aniline?
3-chloro-4-fluoro-N-(5-fluoro-2-methoxyphenyl)aniline has a molecular weight of 269.68 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-(5-fluoro-2-methoxyphenyl)aniline is sourced from PubChem (CID 82536190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).