2-chloro-N-[(2-chloro-5-fluorophenyl)methyl]-6-fluoroaniline

C13H9Cl2F2N — CID 102616009

IUPAC2-chloro-N-[(2-chloro-5-fluorophenyl)methyl]-6-fluoroaniline
SMILESFc1ccc(Cl)c(CNc2c(F)cccc2Cl)c1
InChIInChI=1S/C13H9Cl2F2N/c14-10-5-4-9(16)6-8(10)7-18-13-11(15)2-1-3-12(13)17/h1-6,18H,7H2
InChIKeyWSWVJEAIINLZHP-UHFFFAOYSA-N
MW288.12 g/mol
LogP4.88
Rot. Bonds3

About 2-chloro-N-[(2-chloro-5-fluorophenyl)methyl]-6-fluoroaniline

2-chloro-N-[(2-chloro-5-fluorophenyl)methyl]-6-fluoroaniline (PubChem CID 102616009) has the molecular formula C13H9Cl2F2N and a molecular weight of 288.12 g/mol. Its IUPAC name is 2-chloro-N-[(2-chloro-5-fluorophenyl)methyl]-6-fluoroaniline.

Molecular Properties

Compound Name2-chloro-N-[(2-chloro-5-fluorophenyl)methyl]-6-fluoroaniline
PubChem CID102616009
Molecular FormulaC13H9Cl2F2N
Molecular Weight288.12 g/mol
Exact Mass287.01
IUPAC Name2-chloro-N-[(2-chloro-5-fluorophenyl)methyl]-6-fluoroaniline
SMILESFc1ccc(Cl)c(CNc2c(F)cccc2Cl)c1
InChIInChI=1S/C13H9Cl2F2N/c14-10-5-4-9(16)6-8(10)7-18-13-11(15)2-1-3-12(13)17/h1-6,18H,7H2
InChIKeyWSWVJEAIINLZHP-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

2,6-dichloro-N-[(2-fluorophenyl)methyl]aniline
CID 65469329
3-chloro-N-[(2-chloro-5-fluorophenyl)methyl]-4-fluoroaniline
CID 102615901
2-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-6-methylaniline
CID 66251464
2-chloro-N-[(2,5-difluorophenyl)methyl]-6-nitroaniline
CID 63795168
2-[(2-chloro-6-methylanilino)methyl]-4-fluorophenol
CID 107694475
2-N-[(2,5-difluorophenyl)methyl]-3-fluorobenzene-1,2-diamine
CID 112740496
N-[[2-chloro-5-(3-fluorophenyl)phenyl]methyl]-2,6-difluoro-3-iodoaniline
CID 89467100
4-[(2-chloro-6-fluoroanilino)methyl]-3-methylbenzonitrile
CID 114480866
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-4,6-difluoroaniline
CID 83082114
2-chloro-N-[(2-chlorophenyl)methyl]-4-fluoroaniline
CID 28878906
N-[(2-chloro-5-fluorophenyl)methyl]prop-2-yn-1-amine
CID 102615324
N-[(2-chloro-5-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine
CID 102615547

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-chloro-5-fluorophenyl)methyl]-6-fluoroaniline?
The IUPAC name of 2-chloro-N-[(2-chloro-5-fluorophenyl)methyl]-6-fluoroaniline (CID 102616009) is 2-chloro-N-[(2-chloro-5-fluorophenyl)methyl]-6-fluoroaniline.
What is the SMILES notation for 2-chloro-N-[(2-chloro-5-fluorophenyl)methyl]-6-fluoroaniline?
The canonical SMILES for 2-chloro-N-[(2-chloro-5-fluorophenyl)methyl]-6-fluoroaniline is Fc1ccc(Cl)c(CNc2c(F)cccc2Cl)c1.
What is the InChIKey of 2-chloro-N-[(2-chloro-5-fluorophenyl)methyl]-6-fluoroaniline?
The InChIKey is WSWVJEAIINLZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2F2N/c14-10-5-4-9(16)6-8(10)7-18-13-11(15)2-1-3-12(13)17/h1-6,18H,7H2.
What are the key properties of 2-chloro-N-[(2-chloro-5-fluorophenyl)methyl]-6-fluoroaniline?
2-chloro-N-[(2-chloro-5-fluorophenyl)methyl]-6-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 2-chloro-N-[(2-chloro-5-fluorophenyl)methyl]-6-fluoroaniline is sourced from PubChem (CID 102616009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).