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

C13H9Cl2F2N — CID 81145480

IUPAC4-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoroaniline
SMILESFc1cc(NCc2ccc(F)c(Cl)c2)ccc1Cl
InChIInChI=1S/C13H9Cl2F2N/c14-10-3-2-9(6-13(10)17)18-7-8-1-4-12(16)11(15)5-8/h1-6,18H,7H2
InChIKeyUCZUQSQXUGVJMZ-UHFFFAOYSA-N
MW288.12 g/mol
LogP4.88
Rot. Bonds3

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

4-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoroaniline (PubChem CID 81145480) has the molecular formula C13H9Cl2F2N and a molecular weight of 288.12 g/mol. Its IUPAC name is 4-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoroaniline.

Molecular Properties

Compound Name4-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoroaniline
PubChem CID81145480
Molecular FormulaC13H9Cl2F2N
Molecular Weight288.12 g/mol
Exact Mass287.01
IUPAC Name4-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoroaniline
SMILESFc1cc(NCc2ccc(F)c(Cl)c2)ccc1Cl
InChIInChI=1S/C13H9Cl2F2N/c14-10-3-2-9(6-13(10)17)18-7-8-1-4-12(16)11(15)5-8/h1-6,18H,7H2
InChIKeyUCZUQSQXUGVJMZ-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

4-chloro-N-[(3,4-difluorophenyl)methyl]-3-fluoroaniline
CID 43721394
4-chloro-N-[(3-chlorophenyl)methyl]-3-fluoroaniline
CID 43721513
N-[(3-chloro-4-fluorophenyl)methyl]-3,4-dimethylaniline
CID 81144106
4-[(4-chloro-3-fluoroanilino)methyl]benzene-1,2-diol
CID 43721424
4-tert-butyl-N-[(3-chloro-4-fluorophenyl)methyl]aniline
CID 81143930
N-[(4-chloro-3-fluorophenyl)methyl]-4-fluoro-3-(trifluoromethyl)aniline
CID 63454905
N-[(4-chloro-3-fluorophenyl)methyl]-4-(chloromethyl)aniline
CID 107887420
4-chloro-3-fluoro-N-[(4-methylsulfanylphenyl)methyl]aniline
CID 43721327
2-chloro-4-[(4-chloro-3-fluorophenyl)methylamino]phenol
CID 107678415
N-[(3-chloro-4-fluorophenyl)methyl]-3-iodo-4-methylaniline
CID 81144509
5-[(3-chloro-4-fluorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 81143259
4-[(3-chloro-4-fluorophenyl)methylamino]benzoic acid
CID 62531732

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoroaniline?
The IUPAC name of 4-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoroaniline (CID 81145480) is 4-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoroaniline.
What is the SMILES notation for 4-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoroaniline?
The canonical SMILES for 4-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoroaniline is Fc1cc(NCc2ccc(F)c(Cl)c2)ccc1Cl.
What is the InChIKey of 4-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoroaniline?
The InChIKey is UCZUQSQXUGVJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2F2N/c14-10-3-2-9(6-13(10)17)18-7-8-1-4-12(16)11(15)5-8/h1-6,18H,7H2.
What are the key properties of 4-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoroaniline?
4-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-3-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 4-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoroaniline is sourced from PubChem (CID 81145480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).