N-[(4-chloro-3-fluorophenyl)methyl]-2,6-difluoro-3-methylaniline

C14H11ClF3N — CID 82818227

IUPACN-[(4-chloro-3-fluorophenyl)methyl]-2,6-difluoro-3-methylaniline
SMILESCc1ccc(F)c(NCc2ccc(Cl)c(F)c2)c1F
InChIInChI=1S/C14H11ClF3N/c1-8-2-5-11(16)14(13(8)18)19-7-9-3-4-10(15)12(17)6-9/h2-6,19H,7H2,1H3
InChIKeyWEOKNZDBNJGWHD-UHFFFAOYSA-N
MW285.70 g/mol
LogP4.68
Rot. Bonds3

About N-[(4-chloro-3-fluorophenyl)methyl]-2,6-difluoro-3-methylaniline

N-[(4-chloro-3-fluorophenyl)methyl]-2,6-difluoro-3-methylaniline (PubChem CID 82818227) has the molecular formula C14H11ClF3N and a molecular weight of 285.70 g/mol. Its IUPAC name is N-[(4-chloro-3-fluorophenyl)methyl]-2,6-difluoro-3-methylaniline.

Molecular Properties

Compound NameN-[(4-chloro-3-fluorophenyl)methyl]-2,6-difluoro-3-methylaniline
PubChem CID82818227
Molecular FormulaC14H11ClF3N
Molecular Weight285.70 g/mol
Exact Mass285.05
IUPAC NameN-[(4-chloro-3-fluorophenyl)methyl]-2,6-difluoro-3-methylaniline
SMILESCc1ccc(F)c(NCc2ccc(Cl)c(F)c2)c1F
InChIInChI=1S/C14H11ClF3N/c1-8-2-5-11(16)14(13(8)18)19-7-9-3-4-10(15)12(17)6-9/h2-6,19H,7H2,1H3
InChIKeyWEOKNZDBNJGWHD-UHFFFAOYSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.70
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-2,6-dimethylaniline
CID 55193295
N-[(3-bromo-4-fluorophenyl)methyl]-2,6-difluoro-3-methylaniline
CID 82818051
4-chloro-N-[(4-chloro-3-fluorophenyl)methyl]-2-methylaniline
CID 63420408
2,6-dichloro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 65468543
2,6-dichloro-4-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 83076631
2,6-difluoro-3-methyl-N-[(4-propan-2-ylphenyl)methyl]aniline
CID 82818771
N-[(3,4-dimethoxyphenyl)methyl]-2,6-difluoro-3-methylaniline
CID 82799891
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,6-difluoro-3-methylaniline
CID 82818653
N-[(5-chloro-2-fluorophenyl)methyl]-2,6-difluoro-3-methylaniline
CID 114842579
5-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-2-methylaniline
CID 63445396
2,6-difluoro-3-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline
CID 82815913
2,6-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 63644666

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-fluorophenyl)methyl]-2,6-difluoro-3-methylaniline?
The IUPAC name of N-[(4-chloro-3-fluorophenyl)methyl]-2,6-difluoro-3-methylaniline (CID 82818227) is N-[(4-chloro-3-fluorophenyl)methyl]-2,6-difluoro-3-methylaniline.
What is the SMILES notation for N-[(4-chloro-3-fluorophenyl)methyl]-2,6-difluoro-3-methylaniline?
The canonical SMILES for N-[(4-chloro-3-fluorophenyl)methyl]-2,6-difluoro-3-methylaniline is Cc1ccc(F)c(NCc2ccc(Cl)c(F)c2)c1F.
What is the InChIKey of N-[(4-chloro-3-fluorophenyl)methyl]-2,6-difluoro-3-methylaniline?
The InChIKey is WEOKNZDBNJGWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3N/c1-8-2-5-11(16)14(13(8)18)19-7-9-3-4-10(15)12(17)6-9/h2-6,19H,7H2,1H3.
What are the key properties of N-[(4-chloro-3-fluorophenyl)methyl]-2,6-difluoro-3-methylaniline?
N-[(4-chloro-3-fluorophenyl)methyl]-2,6-difluoro-3-methylaniline has a molecular weight of 285.70 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-fluorophenyl)methyl]-2,6-difluoro-3-methylaniline is sourced from PubChem (CID 82818227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).