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

C13H9Cl2F2N — CID 102615901

IUPAC3-chloro-N-[(2-chloro-5-fluorophenyl)methyl]-4-fluoroaniline
SMILESFc1ccc(Cl)c(CNc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C13H9Cl2F2N/c14-11-3-1-9(16)5-8(11)7-18-10-2-4-13(17)12(15)6-10/h1-6,18H,7H2
InChIKeyNSOMWMPULMGSGW-UHFFFAOYSA-N
MW288.12 g/mol
LogP4.88
Rot. Bonds3

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

3-chloro-N-[(2-chloro-5-fluorophenyl)methyl]-4-fluoroaniline (PubChem CID 102615901) has the molecular formula C13H9Cl2F2N and a molecular weight of 288.12 g/mol. Its IUPAC name is 3-chloro-N-[(2-chloro-5-fluorophenyl)methyl]-4-fluoroaniline.

Molecular Properties

Compound Name3-chloro-N-[(2-chloro-5-fluorophenyl)methyl]-4-fluoroaniline
PubChem CID102615901
Molecular FormulaC13H9Cl2F2N
Molecular Weight288.12 g/mol
Exact Mass287.01
IUPAC Name3-chloro-N-[(2-chloro-5-fluorophenyl)methyl]-4-fluoroaniline
SMILESFc1ccc(Cl)c(CNc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C13H9Cl2F2N/c14-11-3-1-9(16)5-8(11)7-18-10-2-4-13(17)12(15)6-10/h1-6,18H,7H2
InChIKeyNSOMWMPULMGSGW-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-[(2-chloro-4-fluorophenyl)methyl]aniline
CID 30051350
3-chloro-4-fluoro-N-[(2,3,6-trichlorophenyl)methyl]aniline
CID 43772414
N-[(2,5-dichlorophenyl)methyl]-3-fluoro-4-methoxyaniline
CID 65315852
3-chloro-N-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-fluoroaniline
CID 66540683
2-chloro-N-[(2-chloro-5-fluorophenyl)methyl]-6-fluoroaniline
CID 102616009
3-chloro-N-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]-4-fluoroaniline
CID 66541958
3-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]-4-fluoroaniline
CID 54977814
3,5-dichloro-N-[(2,4-difluorophenyl)methyl]-4-fluoroaniline
CID 107572844
4-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoroaniline
CID 81145480
N-[(2-chloro-4-fluorophenyl)methyl]-3,4-dimethylaniline
CID 28555155
N-[(5-bromo-2,4-dimethoxyphenyl)methyl]-3-chloro-4-fluoroaniline
CID 1378381
4-N-[(2,5-difluorophenyl)methyl]-2-fluorobenzene-1,4-diamine
CID 115123866

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2-chloro-5-fluorophenyl)methyl]-4-fluoroaniline?
The IUPAC name of 3-chloro-N-[(2-chloro-5-fluorophenyl)methyl]-4-fluoroaniline (CID 102615901) is 3-chloro-N-[(2-chloro-5-fluorophenyl)methyl]-4-fluoroaniline.
What is the SMILES notation for 3-chloro-N-[(2-chloro-5-fluorophenyl)methyl]-4-fluoroaniline?
The canonical SMILES for 3-chloro-N-[(2-chloro-5-fluorophenyl)methyl]-4-fluoroaniline is Fc1ccc(Cl)c(CNc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 3-chloro-N-[(2-chloro-5-fluorophenyl)methyl]-4-fluoroaniline?
The InChIKey is NSOMWMPULMGSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2F2N/c14-11-3-1-9(16)5-8(11)7-18-10-2-4-13(17)12(15)6-10/h1-6,18H,7H2.
What are the key properties of 3-chloro-N-[(2-chloro-5-fluorophenyl)methyl]-4-fluoroaniline?
3-chloro-N-[(2-chloro-5-fluorophenyl)methyl]-4-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-5-fluorophenyl)methyl]-4-fluoroaniline is sourced from PubChem (CID 102615901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).