N-[(4-bromo-3-fluorophenyl)methyl]-3-chloro-2-fluoroaniline

C13H9BrClF2N — CID 81436139

IUPACN-[(4-bromo-3-fluorophenyl)methyl]-3-chloro-2-fluoroaniline
SMILESFc1cc(CNc2cccc(Cl)c2F)ccc1Br
InChIInChI=1S/C13H9BrClF2N/c14-9-5-4-8(6-11(9)16)7-18-12-3-1-2-10(15)13(12)17/h1-6,18H,7H2
InChIKeyUXBUIFZGVGQJPB-UHFFFAOYSA-N
MW332.58 g/mol
LogP4.99
Rot. Bonds3

About N-[(4-bromo-3-fluorophenyl)methyl]-3-chloro-2-fluoroaniline

N-[(4-bromo-3-fluorophenyl)methyl]-3-chloro-2-fluoroaniline (PubChem CID 81436139) has the molecular formula C13H9BrClF2N and a molecular weight of 332.58 g/mol. Its IUPAC name is N-[(4-bromo-3-fluorophenyl)methyl]-3-chloro-2-fluoroaniline.

Molecular Properties

Compound NameN-[(4-bromo-3-fluorophenyl)methyl]-3-chloro-2-fluoroaniline
PubChem CID81436139
Molecular FormulaC13H9BrClF2N
Molecular Weight332.58 g/mol
Exact Mass330.96
IUPAC NameN-[(4-bromo-3-fluorophenyl)methyl]-3-chloro-2-fluoroaniline
SMILESFc1cc(CNc2cccc(Cl)c2F)ccc1Br
InChIInChI=1S/C13H9BrClF2N/c14-9-5-4-8(6-11(9)16)7-18-12-3-1-2-10(15)13(12)17/h1-6,18H,7H2
InChIKeyUXBUIFZGVGQJPB-UHFFFAOYSA-N
XLogP4.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.58
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-bromo-3-methylphenyl)methyl]-3-chloro-2-fluoroaniline
CID 66474796
N-[(4-bromo-3-fluorophenyl)methyl]-3-chloro-2-methylaniline
CID 81432615
N-[(3-bromo-4-methoxyphenyl)methyl]-3-chloro-2-fluoroaniline
CID 43231721
3-chloro-2-fluoro-N-[(3-fluorophenyl)methyl]aniline
CID 28879731
2-bromo-N-[(3-bromo-4-fluorophenyl)methyl]-3-chloroaniline
CID 103478325
N-[(4-bromo-3-fluorophenyl)methyl]-2-chloro-4-iodoaniline
CID 81436146
N-[(4-bromo-3-methylphenyl)methyl]-2,3-difluoroaniline
CID 66472419
2-[(4-bromo-3-fluorophenyl)methylamino]-6-fluorobenzonitrile
CID 78982287
2,3-dichloro-N-[(3,4-dibromophenyl)methyl]aniline
CID 113483253
3-chloro-N-[[4-(difluoromethyl)phenyl]methyl]-2-fluoroaniline
CID 115523563
3-chloro-N-[(4,5-dibromofuran-2-yl)methyl]-2-fluoroaniline
CID 63421913
N-[(4-bromo-3-fluorophenyl)methyl]-4-chloroaniline
CID 81432792

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-fluorophenyl)methyl]-3-chloro-2-fluoroaniline?
The IUPAC name of N-[(4-bromo-3-fluorophenyl)methyl]-3-chloro-2-fluoroaniline (CID 81436139) is N-[(4-bromo-3-fluorophenyl)methyl]-3-chloro-2-fluoroaniline.
What is the SMILES notation for N-[(4-bromo-3-fluorophenyl)methyl]-3-chloro-2-fluoroaniline?
The canonical SMILES for N-[(4-bromo-3-fluorophenyl)methyl]-3-chloro-2-fluoroaniline is Fc1cc(CNc2cccc(Cl)c2F)ccc1Br.
What is the InChIKey of N-[(4-bromo-3-fluorophenyl)methyl]-3-chloro-2-fluoroaniline?
The InChIKey is UXBUIFZGVGQJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClF2N/c14-9-5-4-8(6-11(9)16)7-18-12-3-1-2-10(15)13(12)17/h1-6,18H,7H2.
What are the key properties of N-[(4-bromo-3-fluorophenyl)methyl]-3-chloro-2-fluoroaniline?
N-[(4-bromo-3-fluorophenyl)methyl]-3-chloro-2-fluoroaniline has a molecular weight of 332.58 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-fluorophenyl)methyl]-3-chloro-2-fluoroaniline is sourced from PubChem (CID 81436139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).