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

C13H9BrCl2FN — CID 113470951

IUPACN-[(4-bromo-2-chlorophenyl)methyl]-2-chloro-4-fluoroaniline
SMILESFc1ccc(NCc2ccc(Br)cc2Cl)c(Cl)c1
InChIInChI=1S/C13H9BrCl2FN/c14-9-2-1-8(11(15)5-9)7-18-13-4-3-10(17)6-12(13)16/h1-6,18H,7H2
InChIKeyWMUJSNFPYKMUDE-UHFFFAOYSA-N
MW349.03 g/mol
LogP5.51
Rot. Bonds3

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

N-[(4-bromo-2-chlorophenyl)methyl]-2-chloro-4-fluoroaniline (PubChem CID 113470951) has the molecular formula C13H9BrCl2FN and a molecular weight of 349.03 g/mol. Its IUPAC name is N-[(4-bromo-2-chlorophenyl)methyl]-2-chloro-4-fluoroaniline.

Molecular Properties

Compound NameN-[(4-bromo-2-chlorophenyl)methyl]-2-chloro-4-fluoroaniline
PubChem CID113470951
Molecular FormulaC13H9BrCl2FN
Molecular Weight349.03 g/mol
Exact Mass346.93
IUPAC NameN-[(4-bromo-2-chlorophenyl)methyl]-2-chloro-4-fluoroaniline
SMILESFc1ccc(NCc2ccc(Br)cc2Cl)c(Cl)c1
InChIInChI=1S/C13H9BrCl2FN/c14-9-2-1-8(11(15)5-9)7-18-13-4-3-10(17)6-12(13)16/h1-6,18H,7H2
InChIKeyWMUJSNFPYKMUDE-UHFFFAOYSA-N
XLogP5.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.03
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dibromo-N-[(2-chloro-4-fluorophenyl)methyl]aniline
CID 63492584
N-[(5-bromo-2-chlorophenyl)methyl]-2-chloro-4-fluoroaniline
CID 114076415
2-bromo-4-chloro-N-[(2-chloro-4-fluorophenyl)methyl]aniline
CID 81270505
2-chloro-N-[(2-chlorophenyl)methyl]-4-fluoroaniline
CID 28878906
N-[(4-bromo-2-fluorophenyl)methyl]-2,4-dichloroaniline
CID 43242981
N-[(2-chloro-4-fluorophenyl)methyl]-4-fluoro-2-iodoaniline
CID 79769585
N-[(4-bromo-2-chlorophenyl)methyl]-2,3-difluoroaniline
CID 113470955
5-bromo-2-chloro-N-[(2-chloro-4-fluorophenyl)methyl]pyridin-3-amine
CID 114064009
4-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-2,6-difluoroaniline
CID 65469947
4-bromo-N-[(3-bromo-5-fluorophenyl)methyl]-2-chloroaniline
CID 79710392
N-[(4-bromo-2-chlorophenyl)methyl]-3-fluoro-5-methylaniline
CID 113470978
4-bromo-N-[(4-chloro-2-fluorophenyl)methyl]-2-fluoroaniline
CID 114841331

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-chlorophenyl)methyl]-2-chloro-4-fluoroaniline?
The IUPAC name of N-[(4-bromo-2-chlorophenyl)methyl]-2-chloro-4-fluoroaniline (CID 113470951) is N-[(4-bromo-2-chlorophenyl)methyl]-2-chloro-4-fluoroaniline.
What is the SMILES notation for N-[(4-bromo-2-chlorophenyl)methyl]-2-chloro-4-fluoroaniline?
The canonical SMILES for N-[(4-bromo-2-chlorophenyl)methyl]-2-chloro-4-fluoroaniline is Fc1ccc(NCc2ccc(Br)cc2Cl)c(Cl)c1.
What is the InChIKey of N-[(4-bromo-2-chlorophenyl)methyl]-2-chloro-4-fluoroaniline?
The InChIKey is WMUJSNFPYKMUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrCl2FN/c14-9-2-1-8(11(15)5-9)7-18-13-4-3-10(17)6-12(13)16/h1-6,18H,7H2.
What are the key properties of N-[(4-bromo-2-chlorophenyl)methyl]-2-chloro-4-fluoroaniline?
N-[(4-bromo-2-chlorophenyl)methyl]-2-chloro-4-fluoroaniline has a molecular weight of 349.03 g/mol, XLogP of 5.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-chlorophenyl)methyl]-2-chloro-4-fluoroaniline is sourced from PubChem (CID 113470951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).