2-chloro-N-[(2,4-dichlorophenyl)methyl]-4,6-difluoroaniline

C13H8Cl3F2N — CID 83081309

IUPAC2-chloro-N-[(2,4-dichlorophenyl)methyl]-4,6-difluoroaniline
SMILESFc1cc(F)c(NCc2ccc(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C13H8Cl3F2N/c14-8-2-1-7(10(15)3-8)6-19-13-11(16)4-9(17)5-12(13)18/h1-5,19H,6H2
InChIKeyWBFXBDPKOKATGW-UHFFFAOYSA-N
MW322.57 g/mol
LogP5.54
Rot. Bonds3

About 2-chloro-N-[(2,4-dichlorophenyl)methyl]-4,6-difluoroaniline

2-chloro-N-[(2,4-dichlorophenyl)methyl]-4,6-difluoroaniline (PubChem CID 83081309) has the molecular formula C13H8Cl3F2N and a molecular weight of 322.57 g/mol. Its IUPAC name is 2-chloro-N-[(2,4-dichlorophenyl)methyl]-4,6-difluoroaniline.

Molecular Properties

Compound Name2-chloro-N-[(2,4-dichlorophenyl)methyl]-4,6-difluoroaniline
PubChem CID83081309
Molecular FormulaC13H8Cl3F2N
Molecular Weight322.57 g/mol
Exact Mass320.97
IUPAC Name2-chloro-N-[(2,4-dichlorophenyl)methyl]-4,6-difluoroaniline
SMILESFc1cc(F)c(NCc2ccc(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C13H8Cl3F2N/c14-8-2-1-7(10(15)3-8)6-19-13-11(16)4-9(17)5-12(13)18/h1-5,19H,6H2
InChIKeyWBFXBDPKOKATGW-UHFFFAOYSA-N
XLogP5.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.57
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chloro-4-methylphenyl)methyl]-2,4,6-trifluoroaniline
CID 106862809
2-chloro-N-[(2,4-dimethylphenyl)methyl]-4,6-difluoroaniline
CID 83081787
4-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-2,6-difluoroaniline
CID 65469947
3-chloro-4-[(2,4,6-trifluoroanilino)methyl]benzonitrile
CID 102664684
2-bromo-N-[(4-chloro-2-fluorophenyl)methyl]-4,6-difluoroaniline
CID 114841541
2-bromo-N-[(2,4-dichlorophenyl)methyl]-6-fluoroaniline
CID 107597860
2-bromo-6-chloro-N-[(2,4-difluorophenyl)methyl]-4-fluoroaniline
CID 107610595
2-bromo-N-[(2-chloro-4-methylphenyl)methyl]-4,6-difluoroaniline
CID 106862279
4-chloro-N-[(2-chloro-4-fluorophenyl)methyl]aniline
CID 30051350
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-4,6-difluoroaniline
CID 83082114
2-chloro-4,6-difluoro-N-[(2-fluoro-3-nitrophenyl)methyl]aniline
CID 107349390
N-[(3-bromo-2,6-difluorophenyl)methyl]-2-chloro-4,6-difluoroaniline
CID 106263674

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2,4-dichlorophenyl)methyl]-4,6-difluoroaniline?
The IUPAC name of 2-chloro-N-[(2,4-dichlorophenyl)methyl]-4,6-difluoroaniline (CID 83081309) is 2-chloro-N-[(2,4-dichlorophenyl)methyl]-4,6-difluoroaniline.
What is the SMILES notation for 2-chloro-N-[(2,4-dichlorophenyl)methyl]-4,6-difluoroaniline?
The canonical SMILES for 2-chloro-N-[(2,4-dichlorophenyl)methyl]-4,6-difluoroaniline is Fc1cc(F)c(NCc2ccc(Cl)cc2Cl)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[(2,4-dichlorophenyl)methyl]-4,6-difluoroaniline?
The InChIKey is WBFXBDPKOKATGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3F2N/c14-8-2-1-7(10(15)3-8)6-19-13-11(16)4-9(17)5-12(13)18/h1-5,19H,6H2.
What are the key properties of 2-chloro-N-[(2,4-dichlorophenyl)methyl]-4,6-difluoroaniline?
2-chloro-N-[(2,4-dichlorophenyl)methyl]-4,6-difluoroaniline has a molecular weight of 322.57 g/mol, XLogP of 5.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2,4-dichlorophenyl)methyl]-4,6-difluoroaniline is sourced from PubChem (CID 83081309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).