3-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-5-fluoroaniline

C13H9Cl2F2N — CID 107364885

IUPAC3-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-5-fluoroaniline
SMILESFc1cc(Cl)cc(NCc2ccc(F)cc2Cl)c1
InChIInChI=1S/C13H9Cl2F2N/c14-9-3-11(17)5-12(4-9)18-7-8-1-2-10(16)6-13(8)15/h1-6,18H,7H2
InChIKeyCAVJEIORJREYPT-UHFFFAOYSA-N
MW288.12 g/mol
LogP4.88
Rot. Bonds3

About 3-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-5-fluoroaniline

3-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-5-fluoroaniline (PubChem CID 107364885) has the molecular formula C13H9Cl2F2N and a molecular weight of 288.12 g/mol. Its IUPAC name is 3-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-5-fluoroaniline.

Molecular Properties

Compound Name3-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-5-fluoroaniline
PubChem CID107364885
Molecular FormulaC13H9Cl2F2N
Molecular Weight288.12 g/mol
Exact Mass287.01
IUPAC Name3-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-5-fluoroaniline
SMILESFc1cc(Cl)cc(NCc2ccc(F)cc2Cl)c1
InChIInChI=1S/C13H9Cl2F2N/c14-9-3-11(17)5-12(4-9)18-7-8-1-2-10(16)6-13(8)15/h1-6,18H,7H2
InChIKeyCAVJEIORJREYPT-UHFFFAOYSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.12
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-N-[(2-chloro-4-methylphenyl)methyl]-5-fluoroaniline
CID 107364998
N-[(2-chloro-4-fluorophenyl)methyl]-3-fluoro-5-methylaniline
CID 79054679
3,5-dichloro-N-[(2-chloro-4-fluorophenyl)methyl]-4-fluoroaniline
CID 107573826
4-chloro-N-[(2-chloro-4-fluorophenyl)methyl]aniline
CID 30051350
3-chloro-5-fluoro-N-[(4-fluorophenyl)methyl]aniline
CID 103773172
4-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylaniline
CID 107573481
N-[(2-chloro-4-fluorophenyl)methyl]-3,4-dimethylaniline
CID 28555155
3-chloro-5-fluoro-N-(naphthalen-1-ylmethyl)aniline
CID 107364306
N-[(4-bromo-2-chlorophenyl)methyl]-3-fluoro-5-methylaniline
CID 113470978
3,5-dichloro-N-[(2,4-difluorophenyl)methyl]-4-fluoroaniline
CID 107572844
3-chloro-N-[(2,6-difluorophenyl)methyl]-5-fluoroaniline
CID 107363892
3-chloro-N-[(2,3-dimethoxyphenyl)methyl]-5-fluoroaniline
CID 103818353

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-5-fluoroaniline?
The IUPAC name of 3-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-5-fluoroaniline (CID 107364885) is 3-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-5-fluoroaniline.
What is the SMILES notation for 3-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-5-fluoroaniline?
The canonical SMILES for 3-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-5-fluoroaniline is Fc1cc(Cl)cc(NCc2ccc(F)cc2Cl)c1.
What is the InChIKey of 3-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-5-fluoroaniline?
The InChIKey is CAVJEIORJREYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2F2N/c14-9-3-11(17)5-12(4-9)18-7-8-1-2-10(16)6-13(8)15/h1-6,18H,7H2.
What are the key properties of 3-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-5-fluoroaniline?
3-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-5-fluoroaniline has a molecular weight of 288.12 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-5-fluoroaniline is sourced from PubChem (CID 107364885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).