2-chloro-N-[(2-chlorophenyl)methyl]-4-fluoroaniline

C13H10Cl2FN — CID 28878906

IUPAC2-chloro-N-[(2-chlorophenyl)methyl]-4-fluoroaniline
SMILESFc1ccc(NCc2ccccc2Cl)c(Cl)c1
InChIInChI=1S/C13H10Cl2FN/c14-11-4-2-1-3-9(11)8-17-13-6-5-10(16)7-12(13)15/h1-7,17H,8H2
InChIKeyZLFAWQQKFANQGQ-UHFFFAOYSA-N
MW270.13 g/mol
LogP4.74
Rot. Bonds3

About 2-chloro-N-[(2-chlorophenyl)methyl]-4-fluoroaniline

2-chloro-N-[(2-chlorophenyl)methyl]-4-fluoroaniline (PubChem CID 28878906) has the molecular formula C13H10Cl2FN and a molecular weight of 270.13 g/mol. Its IUPAC name is 2-chloro-N-[(2-chlorophenyl)methyl]-4-fluoroaniline.

Molecular Properties

Compound Name2-chloro-N-[(2-chlorophenyl)methyl]-4-fluoroaniline
PubChem CID28878906
Molecular FormulaC13H10Cl2FN
Molecular Weight270.13 g/mol
Exact Mass269.02
IUPAC Name2-chloro-N-[(2-chlorophenyl)methyl]-4-fluoroaniline
SMILESFc1ccc(NCc2ccccc2Cl)c(Cl)c1
InChIInChI=1S/C13H10Cl2FN/c14-11-4-2-1-3-9(11)8-17-13-6-5-10(16)7-12(13)15/h1-7,17H,8H2
InChIKeyZLFAWQQKFANQGQ-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-[(2-chlorophenyl)methyl]-5-fluoroaniline
CID 107633361
2-chloro-4-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]aniline
CID 43773952
N-[(5-bromo-2-chlorophenyl)methyl]-2-chloro-4-fluoroaniline
CID 114076415
N-[(4-bromo-2-chlorophenyl)methyl]-2-chloro-4-fluoroaniline
CID 113470951
N-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxyaniline
CID 82539005
5-chloro-N-[(2-chlorophenyl)methyl]-2-fluoroaniline
CID 43385670
N-[(2-chlorophenyl)methyl]-2-fluoro-4-methylaniline
CID 28879324
3-chloro-2-[(2-chloro-4-fluoroanilino)methyl]phenol
CID 114317924
2-chloro-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4-fluoroaniline
CID 43583856
N-[(2-chloro-4-fluorophenyl)methyl]-4-fluoro-2-iodoaniline
CID 79769585
2,4-dichloro-6-[(2-chloro-4-fluoroanilino)methyl]phenol
CID 29079835
2-chloro-4-fluoro-N-(isoquinolin-5-ylmethyl)aniline
CID 62825466

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-chlorophenyl)methyl]-4-fluoroaniline?
The IUPAC name of 2-chloro-N-[(2-chlorophenyl)methyl]-4-fluoroaniline (CID 28878906) is 2-chloro-N-[(2-chlorophenyl)methyl]-4-fluoroaniline.
What is the SMILES notation for 2-chloro-N-[(2-chlorophenyl)methyl]-4-fluoroaniline?
The canonical SMILES for 2-chloro-N-[(2-chlorophenyl)methyl]-4-fluoroaniline is Fc1ccc(NCc2ccccc2Cl)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[(2-chlorophenyl)methyl]-4-fluoroaniline?
The InChIKey is ZLFAWQQKFANQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FN/c14-11-4-2-1-3-9(11)8-17-13-6-5-10(16)7-12(13)15/h1-7,17H,8H2.
What are the key properties of 2-chloro-N-[(2-chlorophenyl)methyl]-4-fluoroaniline?
2-chloro-N-[(2-chlorophenyl)methyl]-4-fluoroaniline has a molecular weight of 270.13 g/mol, XLogP of 4.74, 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-chlorophenyl)methyl]-4-fluoroaniline is sourced from PubChem (CID 28878906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).