N-[(2-bromo-5-fluorophenyl)methyl]-2-chloro-5-(trifluoromethyl)aniline

C14H9BrClF4N — CID 28545060

IUPACN-[(2-bromo-5-fluorophenyl)methyl]-2-chloro-5-(trifluoromethyl)aniline
SMILESFc1ccc(Br)c(CNc2cc(C(F)(F)F)ccc2Cl)c1
InChIInChI=1S/C14H9BrClF4N/c15-11-3-2-10(17)5-8(11)7-21-13-6-9(14(18,19)20)1-4-12(13)16/h1-6,21H,7H2
InChIKeyZHIXLGDXPZAFNY-UHFFFAOYSA-N
MW382.58 g/mol
LogP5.87
Rot. Bonds3

About N-[(2-bromo-5-fluorophenyl)methyl]-2-chloro-5-(trifluoromethyl)aniline

N-[(2-bromo-5-fluorophenyl)methyl]-2-chloro-5-(trifluoromethyl)aniline (PubChem CID 28545060) has the molecular formula C14H9BrClF4N and a molecular weight of 382.58 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)methyl]-2-chloro-5-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)methyl]-2-chloro-5-(trifluoromethyl)aniline
PubChem CID28545060
Molecular FormulaC14H9BrClF4N
Molecular Weight382.58 g/mol
Exact Mass380.95
IUPAC NameN-[(2-bromo-5-fluorophenyl)methyl]-2-chloro-5-(trifluoromethyl)aniline
SMILESFc1ccc(Br)c(CNc2cc(C(F)(F)F)ccc2Cl)c1
InChIInChI=1S/C14H9BrClF4N/c15-11-3-2-10(17)5-8(11)7-21-13-6-9(14(18,19)20)1-4-12(13)16/h1-6,21H,7H2
InChIKeyZHIXLGDXPZAFNY-UHFFFAOYSA-N
XLogP5.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.58
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-N-[(2,5-difluorophenyl)methyl]-5-(trifluoromethyl)aniline
CID 43312527
N-[(2-bromo-5-fluorophenyl)methyl]-2,5-dichloro-4-methylaniline
CID 104726869
2-chloro-N-[(2-methoxyphenyl)methyl]-5-(trifluoromethyl)aniline
CID 29285978
2-chloro-N-[(2-chloro-3-fluorophenyl)methyl]-5-(trifluoromethyl)aniline
CID 115982770
N-[(2-bromo-5-fluorophenyl)methyl]-5-chloro-2-fluoroaniline
CID 43381942
2-chloro-N-[(4,5-dibromothiophen-2-yl)methyl]-5-(trifluoromethyl)aniline
CID 102830020
2-bromo-N-[(2,4-difluorophenyl)methyl]-4-(trifluoromethyl)aniline
CID 115511648
N-[(5-bromofuran-2-yl)methyl]-2-chloro-5-(trifluoromethyl)aniline
CID 28543316
N-[(2-bromo-5-fluorophenyl)methyl]-5-fluoro-2-methylaniline
CID 28532250
N-[(2-bromo-5-fluorophenyl)methyl]-2,3,4-trifluoroaniline
CID 28574347
N-[(2-bromo-5-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 29275138
N-[(2-bromo-5-fluorophenyl)methyl]-2-chloro-6-(trifluoromethyl)pyrimidin-4-amine
CID 106193620

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-2-chloro-5-(trifluoromethyl)aniline?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-2-chloro-5-(trifluoromethyl)aniline (CID 28545060) is N-[(2-bromo-5-fluorophenyl)methyl]-2-chloro-5-(trifluoromethyl)aniline.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)methyl]-2-chloro-5-(trifluoromethyl)aniline?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)methyl]-2-chloro-5-(trifluoromethyl)aniline is Fc1ccc(Br)c(CNc2cc(C(F)(F)F)ccc2Cl)c1.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)methyl]-2-chloro-5-(trifluoromethyl)aniline?
The InChIKey is ZHIXLGDXPZAFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClF4N/c15-11-3-2-10(17)5-8(11)7-21-13-6-9(14(18,19)20)1-4-12(13)16/h1-6,21H,7H2.
What are the key properties of N-[(2-bromo-5-fluorophenyl)methyl]-2-chloro-5-(trifluoromethyl)aniline?
N-[(2-bromo-5-fluorophenyl)methyl]-2-chloro-5-(trifluoromethyl)aniline has a molecular weight of 382.58 g/mol, XLogP of 5.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-fluorophenyl)methyl]-2-chloro-5-(trifluoromethyl)aniline is sourced from PubChem (CID 28545060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).