N-[(2-chloro-3-fluorophenyl)methyl]-2,5-difluoroaniline

C13H9ClF3N — CID 112651771

IUPACN-[(2-chloro-3-fluorophenyl)methyl]-2,5-difluoroaniline
SMILESFc1ccc(F)c(NCc2cccc(F)c2Cl)c1
InChIInChI=1S/C13H9ClF3N/c14-13-8(2-1-3-11(13)17)7-18-12-6-9(15)4-5-10(12)16/h1-6,18H,7H2
InChIKeyNELSLZXRIKOFJE-UHFFFAOYSA-N
MW271.67 g/mol
LogP4.37
Rot. Bonds3

About N-[(2-chloro-3-fluorophenyl)methyl]-2,5-difluoroaniline

N-[(2-chloro-3-fluorophenyl)methyl]-2,5-difluoroaniline (PubChem CID 112651771) has the molecular formula C13H9ClF3N and a molecular weight of 271.67 g/mol. Its IUPAC name is N-[(2-chloro-3-fluorophenyl)methyl]-2,5-difluoroaniline.

Molecular Properties

Compound NameN-[(2-chloro-3-fluorophenyl)methyl]-2,5-difluoroaniline
PubChem CID112651771
Molecular FormulaC13H9ClF3N
Molecular Weight271.67 g/mol
Exact Mass271.04
IUPAC NameN-[(2-chloro-3-fluorophenyl)methyl]-2,5-difluoroaniline
SMILESFc1ccc(F)c(NCc2cccc(F)c2Cl)c1
InChIInChI=1S/C13H9ClF3N/c14-13-8(2-1-3-11(13)17)7-18-12-6-9(15)4-5-10(12)16/h1-6,18H,7H2
InChIKeyNELSLZXRIKOFJE-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.67
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4,6-trichloro-N-[(2-chloro-3-fluorophenyl)methyl]aniline
CID 112651817
N-[(2-chloro-3-fluorophenyl)methyl]-3,4-difluoroaniline
CID 112651786
2-chloro-N-[(2-chloro-3-fluorophenyl)methyl]-5-methylaniline
CID 107634827
2-chloro-N-[(2-chloro-3-fluorophenyl)methyl]-5-(trifluoromethyl)aniline
CID 115982770
5-chloro-N-[(2-chlorophenyl)methyl]-2-fluoroaniline
CID 43385670
N-[(2-bromo-5-fluorophenyl)methyl]-5-chloro-2-fluoroaniline
CID 43381942
N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2,5-difluoroaniline
CID 43583399
5-chloro-N-[(2,3-dimethylphenyl)methyl]-2-fluoroaniline
CID 55198647
2-chloro-6-[(5-chloro-2-fluoroanilino)methyl]phenol
CID 112606398
2,5-difluoro-N-[(2-nitrophenyl)methyl]aniline
CID 28574528
(2-chloro-3-fluorophenyl)methylhydrazine
CID 81453607
N-[[4-(aminomethyl)phenyl]methyl]-2,5-difluoroaniline
CID 115213122

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-3-fluorophenyl)methyl]-2,5-difluoroaniline?
The IUPAC name of N-[(2-chloro-3-fluorophenyl)methyl]-2,5-difluoroaniline (CID 112651771) is N-[(2-chloro-3-fluorophenyl)methyl]-2,5-difluoroaniline.
What is the SMILES notation for N-[(2-chloro-3-fluorophenyl)methyl]-2,5-difluoroaniline?
The canonical SMILES for N-[(2-chloro-3-fluorophenyl)methyl]-2,5-difluoroaniline is Fc1ccc(F)c(NCc2cccc(F)c2Cl)c1.
What is the InChIKey of N-[(2-chloro-3-fluorophenyl)methyl]-2,5-difluoroaniline?
The InChIKey is NELSLZXRIKOFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3N/c14-13-8(2-1-3-11(13)17)7-18-12-6-9(15)4-5-10(12)16/h1-6,18H,7H2.
What are the key properties of N-[(2-chloro-3-fluorophenyl)methyl]-2,5-difluoroaniline?
N-[(2-chloro-3-fluorophenyl)methyl]-2,5-difluoroaniline has a molecular weight of 271.67 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-3-fluorophenyl)methyl]-2,5-difluoroaniline is sourced from PubChem (CID 112651771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).