N-[(2-bromo-5-chlorophenyl)methyl]-4-chloro-3-fluoroaniline

C13H9BrCl2FN — CID 66159137

IUPACN-[(2-bromo-5-chlorophenyl)methyl]-4-chloro-3-fluoroaniline
SMILESFc1cc(NCc2cc(Cl)ccc2Br)ccc1Cl
InChIInChI=1S/C13H9BrCl2FN/c14-11-3-1-9(15)5-8(11)7-18-10-2-4-12(16)13(17)6-10/h1-6,18H,7H2
InChIKeyOWCYBIZZCKKSKC-UHFFFAOYSA-N
MW349.03 g/mol
LogP5.51
Rot. Bonds3

About N-[(2-bromo-5-chlorophenyl)methyl]-4-chloro-3-fluoroaniline

N-[(2-bromo-5-chlorophenyl)methyl]-4-chloro-3-fluoroaniline (PubChem CID 66159137) has the molecular formula C13H9BrCl2FN and a molecular weight of 349.03 g/mol. Its IUPAC name is N-[(2-bromo-5-chlorophenyl)methyl]-4-chloro-3-fluoroaniline.

Molecular Properties

Compound NameN-[(2-bromo-5-chlorophenyl)methyl]-4-chloro-3-fluoroaniline
PubChem CID66159137
Molecular FormulaC13H9BrCl2FN
Molecular Weight349.03 g/mol
Exact Mass346.93
IUPAC NameN-[(2-bromo-5-chlorophenyl)methyl]-4-chloro-3-fluoroaniline
SMILESFc1cc(NCc2cc(Cl)ccc2Br)ccc1Cl
InChIInChI=1S/C13H9BrCl2FN/c14-11-3-1-9(15)5-8(11)7-18-10-2-4-12(16)13(17)6-10/h1-6,18H,7H2
InChIKeyOWCYBIZZCKKSKC-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

N-[(2-bromo-5-methoxyphenyl)methyl]-4-chloro-3-fluoroaniline
CID 65324117
N-[(2-bromo-5-chlorophenyl)methyl]-4-fluoro-3-(trifluoromethyl)aniline
CID 66158601
N-[(2-bromo-5-chlorophenyl)methyl]-3,4-dimethylaniline
CID 66161237
N-[(2-bromo-5-chlorophenyl)methyl]-4-methylaniline
CID 66160642
4-bromo-N-[(2,5-dichlorophenyl)methyl]-3-iodoaniline
CID 114259513
6-bromo-N-[(2-bromo-5-chlorophenyl)methyl]naphthalen-2-amine
CID 81265976
4-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-3-methoxyaniline
CID 82857973
N-[(2-bromo-5-chlorophenyl)methyl]-1,3-benzodioxol-5-amine
CID 66161040
2-[(4-chloro-3-fluoroanilino)methyl]phenol
CID 4913246
4-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-2,6-difluoroaniline
CID 66155639
N-[(2-bromo-5-chlorophenyl)methyl]-4-methoxyaniline
CID 66160837
4-[(2-bromo-5-chlorophenyl)methylamino]benzonitrile
CID 66159273

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-chlorophenyl)methyl]-4-chloro-3-fluoroaniline?
The IUPAC name of N-[(2-bromo-5-chlorophenyl)methyl]-4-chloro-3-fluoroaniline (CID 66159137) is N-[(2-bromo-5-chlorophenyl)methyl]-4-chloro-3-fluoroaniline.
What is the SMILES notation for N-[(2-bromo-5-chlorophenyl)methyl]-4-chloro-3-fluoroaniline?
The canonical SMILES for N-[(2-bromo-5-chlorophenyl)methyl]-4-chloro-3-fluoroaniline is Fc1cc(NCc2cc(Cl)ccc2Br)ccc1Cl.
What is the InChIKey of N-[(2-bromo-5-chlorophenyl)methyl]-4-chloro-3-fluoroaniline?
The InChIKey is OWCYBIZZCKKSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrCl2FN/c14-11-3-1-9(15)5-8(11)7-18-10-2-4-12(16)13(17)6-10/h1-6,18H,7H2.
What are the key properties of N-[(2-bromo-5-chlorophenyl)methyl]-4-chloro-3-fluoroaniline?
N-[(2-bromo-5-chlorophenyl)methyl]-4-chloro-3-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-[(2-bromo-5-chlorophenyl)methyl]-4-chloro-3-fluoroaniline is sourced from PubChem (CID 66159137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).