2-chloro-N-[(3,5-difluorophenyl)methyl]-5-fluoroaniline

C13H9ClF3N — CID 107526967

IUPAC2-chloro-N-[(3,5-difluorophenyl)methyl]-5-fluoroaniline
SMILESFc1cc(F)cc(CNc2cc(F)ccc2Cl)c1
InChIInChI=1S/C13H9ClF3N/c14-12-2-1-9(15)6-13(12)18-7-8-3-10(16)5-11(17)4-8/h1-6,18H,7H2
InChIKeyBSDABMYYGPFXGZ-UHFFFAOYSA-N
MW271.67 g/mol
LogP4.37
Rot. Bonds3

About 2-chloro-N-[(3,5-difluorophenyl)methyl]-5-fluoroaniline

2-chloro-N-[(3,5-difluorophenyl)methyl]-5-fluoroaniline (PubChem CID 107526967) has the molecular formula C13H9ClF3N and a molecular weight of 271.67 g/mol. Its IUPAC name is 2-chloro-N-[(3,5-difluorophenyl)methyl]-5-fluoroaniline.

Molecular Properties

Compound Name2-chloro-N-[(3,5-difluorophenyl)methyl]-5-fluoroaniline
PubChem CID107526967
Molecular FormulaC13H9ClF3N
Molecular Weight271.67 g/mol
Exact Mass271.04
IUPAC Name2-chloro-N-[(3,5-difluorophenyl)methyl]-5-fluoroaniline
SMILESFc1cc(F)cc(CNc2cc(F)ccc2Cl)c1
InChIInChI=1S/C13H9ClF3N/c14-12-2-1-9(15)6-13(12)18-7-8-3-10(16)5-11(17)4-8/h1-6,18H,7H2
InChIKeyBSDABMYYGPFXGZ-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.67
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-chloro-N-[(3,5-difluorophenyl)methyl]-5-fluoroaniline 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

2,5-dichloro-N-[(3,5-difluorophenyl)methyl]aniline
CID 105402904
N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-2-chloro-5-fluoroaniline
CID 107527697
2-chloro-5-fluoro-N-(3-fluoropropyl)aniline
CID 107528126
2-chloro-N-[(2,4-dimethylphenyl)methyl]-5-fluoroaniline
CID 107527051
2,4-dichloro-6-[(2-chloro-5-fluoroanilino)methyl]phenol
CID 107527486
methyl 4-chloro-3-[(3-chloro-5-fluorophenyl)methylamino]benzoate
CID 114452449
2-chloro-5-fluoro-N-[(4-methyl-3-nitrophenyl)methyl]aniline
CID 107527402
5-bromo-2-chloro-N-[(3-fluoro-5-nitrophenyl)methyl]aniline
CID 115980452
2,4,6-trichloro-N-[(3,5-difluorophenyl)methyl]aniline
CID 105402948
2-chloro-5-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 107527417
4-chloro-3-[(4-fluorophenyl)methylamino]benzoic acid
CID 17058963
2-chloro-5-fluoro-N-(thiadiazol-4-ylmethyl)aniline
CID 107527302

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3,5-difluorophenyl)methyl]-5-fluoroaniline?
The IUPAC name of 2-chloro-N-[(3,5-difluorophenyl)methyl]-5-fluoroaniline (CID 107526967) is 2-chloro-N-[(3,5-difluorophenyl)methyl]-5-fluoroaniline.
What is the SMILES notation for 2-chloro-N-[(3,5-difluorophenyl)methyl]-5-fluoroaniline?
The canonical SMILES for 2-chloro-N-[(3,5-difluorophenyl)methyl]-5-fluoroaniline is Fc1cc(F)cc(CNc2cc(F)ccc2Cl)c1.
What is the InChIKey of 2-chloro-N-[(3,5-difluorophenyl)methyl]-5-fluoroaniline?
The InChIKey is BSDABMYYGPFXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3N/c14-12-2-1-9(15)6-13(12)18-7-8-3-10(16)5-11(17)4-8/h1-6,18H,7H2.
What are the key properties of 2-chloro-N-[(3,5-difluorophenyl)methyl]-5-fluoroaniline?
2-chloro-N-[(3,5-difluorophenyl)methyl]-5-fluoroaniline has a molecular weight of 271.67 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3,5-difluorophenyl)methyl]-5-fluoroaniline is sourced from PubChem (CID 107526967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).