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

C13H9BrClF2N — CID 43381942

IUPACN-[(2-bromo-5-fluorophenyl)methyl]-5-chloro-2-fluoroaniline
SMILESFc1ccc(Br)c(CNc2cc(Cl)ccc2F)c1
InChIInChI=1S/C13H9BrClF2N/c14-11-3-2-10(16)5-8(11)7-18-13-6-9(15)1-4-12(13)17/h1-6,18H,7H2
InChIKeyNADXYVGZBFCRPF-UHFFFAOYSA-N
MW332.58 g/mol
LogP4.99
Rot. Bonds3

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

N-[(2-bromo-5-fluorophenyl)methyl]-5-chloro-2-fluoroaniline (PubChem CID 43381942) has the molecular formula C13H9BrClF2N and a molecular weight of 332.58 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)methyl]-5-chloro-2-fluoroaniline.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)methyl]-5-chloro-2-fluoroaniline
PubChem CID43381942
Molecular FormulaC13H9BrClF2N
Molecular Weight332.58 g/mol
Exact Mass330.96
IUPAC NameN-[(2-bromo-5-fluorophenyl)methyl]-5-chloro-2-fluoroaniline
SMILESFc1ccc(Br)c(CNc2cc(Cl)ccc2F)c1
InChIInChI=1S/C13H9BrClF2N/c14-11-3-2-10(16)5-8(11)7-18-13-6-9(15)1-4-12(13)17/h1-6,18H,7H2
InChIKeyNADXYVGZBFCRPF-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-[(2-bromo-5-fluorophenyl)methyl]-2,3,4-trifluoroaniline
CID 28574347
N-[(2-bromo-5-chlorophenyl)methyl]-2-fluoro-5-methylaniline
CID 66160456
5-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-2,4-difluoroaniline
CID 102853232
N-[(2-bromo-5-chlorophenyl)methyl]-2,3,5-trifluoroaniline
CID 66161147
N-[(2-bromo-4-fluorophenyl)methyl]-4-chloro-2-fluoroaniline
CID 63491887
N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-chloro-2-fluoroaniline
CID 43393710
N-[(2-bromo-5-fluorophenyl)methyl]-2,5-dichloro-4-methylaniline
CID 104726869
2-[(2-bromo-4-chloroanilino)methyl]-4-fluorophenol
CID 107694491
N-[(2-bromo-5-fluorophenyl)methyl]-5-fluoro-2-methylaniline
CID 28532250
N-[(4-bromo-3-chlorophenyl)methyl]-2,5-difluoroaniline
CID 114076366
2-bromo-4-chloro-N-[(2-chloro-4-fluorophenyl)methyl]aniline
CID 81270505
N-[(2-bromo-5-fluorophenyl)methyl]-2-chloro-5-(trifluoromethyl)aniline
CID 28545060

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-5-chloro-2-fluoroaniline?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-5-chloro-2-fluoroaniline (CID 43381942) is N-[(2-bromo-5-fluorophenyl)methyl]-5-chloro-2-fluoroaniline.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)methyl]-5-chloro-2-fluoroaniline?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)methyl]-5-chloro-2-fluoroaniline is Fc1ccc(Br)c(CNc2cc(Cl)ccc2F)c1.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)methyl]-5-chloro-2-fluoroaniline?
The InChIKey is NADXYVGZBFCRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClF2N/c14-11-3-2-10(16)5-8(11)7-18-13-6-9(15)1-4-12(13)17/h1-6,18H,7H2.
What are the key properties of N-[(2-bromo-5-fluorophenyl)methyl]-5-chloro-2-fluoroaniline?
N-[(2-bromo-5-fluorophenyl)methyl]-5-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-[(2-bromo-5-fluorophenyl)methyl]-5-chloro-2-fluoroaniline is sourced from PubChem (CID 43381942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).