4-chloro-N-[(2-chloro-4-fluorophenyl)methyl]aniline

C13H10Cl2FN — CID 30051350

IUPAC4-chloro-N-[(2-chloro-4-fluorophenyl)methyl]aniline
SMILESFc1ccc(CNc2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C13H10Cl2FN/c14-10-2-5-12(6-3-10)17-8-9-1-4-11(16)7-13(9)15/h1-7,17H,8H2
InChIKeyYYGREDOYKKYGLZ-UHFFFAOYSA-N
MW270.13 g/mol
LogP4.74
Rot. Bonds3

About 4-chloro-N-[(2-chloro-4-fluorophenyl)methyl]aniline

4-chloro-N-[(2-chloro-4-fluorophenyl)methyl]aniline (PubChem CID 30051350) has the molecular formula C13H10Cl2FN and a molecular weight of 270.13 g/mol. Its IUPAC name is 4-chloro-N-[(2-chloro-4-fluorophenyl)methyl]aniline.

Molecular Properties

Compound Name4-chloro-N-[(2-chloro-4-fluorophenyl)methyl]aniline
PubChem CID30051350
Molecular FormulaC13H10Cl2FN
Molecular Weight270.13 g/mol
Exact Mass269.02
IUPAC Name4-chloro-N-[(2-chloro-4-fluorophenyl)methyl]aniline
SMILESFc1ccc(CNc2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C13H10Cl2FN/c14-10-2-5-12(6-3-10)17-8-9-1-4-11(16)7-13(9)15/h1-7,17H,8H2
InChIKeyYYGREDOYKKYGLZ-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-chloro-N-[(2-chloro-4-fluorophenyl)methyl]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-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-5-fluoroaniline
CID 107364885
3,5-dichloro-N-[(2-chloro-4-fluorophenyl)methyl]-4-fluoroaniline
CID 107573826
N-[(2-chloro-4-fluorophenyl)methyl]-3,4-dimethylaniline
CID 28555155
N-[(2-chloro-4-fluorophenyl)methyl]-4-propan-2-yloxyaniline
CID 28969852
N-[(2-chloro-4-fluorophenyl)methyl]-3-fluoro-5-methylaniline
CID 79054679
4-[(2-chloro-4-fluorophenyl)methylamino]-N-methylbenzamide
CID 103605319
N-[(2-chloro-4-ethylphenyl)methyl]-4-fluoroaniline
CID 123969663
3-chloro-N-[(2-chloro-5-fluorophenyl)methyl]-4-fluoroaniline
CID 102615901
2-bromo-4-chloro-N-[(2-chloro-4-fluorophenyl)methyl]aniline
CID 81270505
4-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylaniline
CID 107573481
4-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-2,6-difluoroaniline
CID 65469947
N-[(2-chloro-4-fluorophenyl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline
CID 103818606

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2-chloro-4-fluorophenyl)methyl]aniline?
The IUPAC name of 4-chloro-N-[(2-chloro-4-fluorophenyl)methyl]aniline (CID 30051350) is 4-chloro-N-[(2-chloro-4-fluorophenyl)methyl]aniline.
What is the SMILES notation for 4-chloro-N-[(2-chloro-4-fluorophenyl)methyl]aniline?
The canonical SMILES for 4-chloro-N-[(2-chloro-4-fluorophenyl)methyl]aniline is Fc1ccc(CNc2ccc(Cl)cc2)c(Cl)c1.
What is the InChIKey of 4-chloro-N-[(2-chloro-4-fluorophenyl)methyl]aniline?
The InChIKey is YYGREDOYKKYGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FN/c14-10-2-5-12(6-3-10)17-8-9-1-4-11(16)7-13(9)15/h1-7,17H,8H2.
What are the key properties of 4-chloro-N-[(2-chloro-4-fluorophenyl)methyl]aniline?
4-chloro-N-[(2-chloro-4-fluorophenyl)methyl]aniline has a molecular weight of 270.13 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2-chloro-4-fluorophenyl)methyl]aniline is sourced from PubChem (CID 30051350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).