N-[(4-bromo-2-chlorophenyl)methyl]-2,3-difluoroaniline

C13H9BrClF2N — CID 113470955

IUPACN-[(4-bromo-2-chlorophenyl)methyl]-2,3-difluoroaniline
SMILESFc1cccc(NCc2ccc(Br)cc2Cl)c1F
InChIInChI=1S/C13H9BrClF2N/c14-9-5-4-8(10(15)6-9)7-18-12-3-1-2-11(16)13(12)17/h1-6,18H,7H2
InChIKeyGXHTVDPCPJYAKJ-UHFFFAOYSA-N
MW332.58 g/mol
LogP4.99
Rot. Bonds3

About N-[(4-bromo-2-chlorophenyl)methyl]-2,3-difluoroaniline

N-[(4-bromo-2-chlorophenyl)methyl]-2,3-difluoroaniline (PubChem CID 113470955) has the molecular formula C13H9BrClF2N and a molecular weight of 332.58 g/mol. Its IUPAC name is N-[(4-bromo-2-chlorophenyl)methyl]-2,3-difluoroaniline.

Molecular Properties

Compound NameN-[(4-bromo-2-chlorophenyl)methyl]-2,3-difluoroaniline
PubChem CID113470955
Molecular FormulaC13H9BrClF2N
Molecular Weight332.58 g/mol
Exact Mass330.96
IUPAC NameN-[(4-bromo-2-chlorophenyl)methyl]-2,3-difluoroaniline
SMILESFc1cccc(NCc2ccc(Br)cc2Cl)c1F
InChIInChI=1S/C13H9BrClF2N/c14-9-5-4-8(10(15)6-9)7-18-12-3-1-2-11(16)13(12)17/h1-6,18H,7H2
InChIKeyGXHTVDPCPJYAKJ-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-2-fluorophenyl)methyl]-2,3-dichloroaniline
CID 43243000
N-[(4-bromo-2-chlorophenyl)methyl]-2-chloro-4-fluoroaniline
CID 113470951
4-bromo-N-[(2,3-difluorophenyl)methyl]-2-fluoroaniline
CID 43658804
N-[(2-chloro-4-methylphenyl)methyl]-2-fluoroaniline
CID 106862168
2,4-dibromo-N-[(2-chloro-4-fluorophenyl)methyl]aniline
CID 63492584
2,3-difluoro-N-[(2-fluorophenyl)methyl]aniline
CID 61075368
N-[(4-bromo-2-fluorophenyl)methyl]-2,4-dichloroaniline
CID 43242981
N-[3-[(4-bromo-2-chlorophenyl)methylamino]-4-fluorophenyl]acetamide
CID 115868166
4-[(2,3-difluoroanilino)methyl]benzene-1,3-diol
CID 61075014
2-bromo-N-[(2,4-dichlorophenyl)methyl]-6-fluoroaniline
CID 107597860
5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-2-fluoroaniline
CID 43555320
N-[(4-bromo-2-chlorophenyl)methyl]-3-fluoro-5-methylaniline
CID 113470978

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-chlorophenyl)methyl]-2,3-difluoroaniline?
The IUPAC name of N-[(4-bromo-2-chlorophenyl)methyl]-2,3-difluoroaniline (CID 113470955) is N-[(4-bromo-2-chlorophenyl)methyl]-2,3-difluoroaniline.
What is the SMILES notation for N-[(4-bromo-2-chlorophenyl)methyl]-2,3-difluoroaniline?
The canonical SMILES for N-[(4-bromo-2-chlorophenyl)methyl]-2,3-difluoroaniline is Fc1cccc(NCc2ccc(Br)cc2Cl)c1F.
What is the InChIKey of N-[(4-bromo-2-chlorophenyl)methyl]-2,3-difluoroaniline?
The InChIKey is GXHTVDPCPJYAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClF2N/c14-9-5-4-8(10(15)6-9)7-18-12-3-1-2-11(16)13(12)17/h1-6,18H,7H2.
What are the key properties of N-[(4-bromo-2-chlorophenyl)methyl]-2,3-difluoroaniline?
N-[(4-bromo-2-chlorophenyl)methyl]-2,3-difluoroaniline 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-2-chlorophenyl)methyl]-2,3-difluoroaniline is sourced from PubChem (CID 113470955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).