N-(4-bromo-2-nitrophenyl)-4-chloro-2-fluoroaniline

C12H7BrClFN2O2 — CID 63463983

IUPACN-(4-bromo-2-nitrophenyl)-4-chloro-2-fluoroaniline
SMILESO=[N+]([O-])c1cc(Br)ccc1Nc1ccc(Cl)cc1F
InChIInChI=1S/C12H7BrClFN2O2/c13-7-1-3-11(12(5-7)17(18)19)16-10-4-2-8(14)6-9(10)15/h1-6,16H
InChIKeyDZUDYHVPWISIPI-UHFFFAOYSA-N
MW345.56 g/mol
LogP4.89
Rot. Bonds3

About N-(4-bromo-2-nitrophenyl)-4-chloro-2-fluoroaniline

N-(4-bromo-2-nitrophenyl)-4-chloro-2-fluoroaniline (PubChem CID 63463983) has the molecular formula C12H7BrClFN2O2 and a molecular weight of 345.56 g/mol. Its IUPAC name is N-(4-bromo-2-nitrophenyl)-4-chloro-2-fluoroaniline.

Molecular Properties

Compound NameN-(4-bromo-2-nitrophenyl)-4-chloro-2-fluoroaniline
PubChem CID63463983
Molecular FormulaC12H7BrClFN2O2
Molecular Weight345.56 g/mol
Exact Mass343.94
IUPAC NameN-(4-bromo-2-nitrophenyl)-4-chloro-2-fluoroaniline
SMILESO=[N+]([O-])c1cc(Br)ccc1Nc1ccc(Cl)cc1F
InChIInChI=1S/C12H7BrClFN2O2/c13-7-1-3-11(12(5-7)17(18)19)16-10-4-2-8(14)6-9(10)15/h1-6,16H
InChIKeyDZUDYHVPWISIPI-UHFFFAOYSA-N
XLogP4.89
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.56
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2-nitrophenyl)-2-fluoro-4-methylaniline
CID 63462666
N-(4-bromo-2-nitrophenyl)-2,5-difluoro-4-methylaniline
CID 103587176
N-(4-bromo-2-nitrophenyl)-3-fluoro-2-methylaniline
CID 55193169
5-bromo-N-(4-bromo-2-nitrophenyl)-2-methylaniline
CID 63464457
4-bromo-N-(4-methylphenyl)-2-nitroaniline
CID 63463973
4-bromo-N-(3-fluorophenyl)-2-nitroaniline
CID 63462016
4-bromo-N-[(4-chlorophenyl)methyl]-2-nitroaniline
CID 14952985
4-bromo-N-(3,5-dimethylphenyl)-2-nitroaniline
CID 63462677
4-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-2-nitroaniline
CID 29033812
N-(4-bromo-2-nitrophenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine
CID 115348913
2-(4-chloro-2-fluoroanilino)-5-nitrobenzonitrile
CID 115501023
2-amino-N-(4-bromo-2-nitrophenyl)-4-chlorobenzamide
CID 63110574

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-nitrophenyl)-4-chloro-2-fluoroaniline?
The IUPAC name of N-(4-bromo-2-nitrophenyl)-4-chloro-2-fluoroaniline (CID 63463983) is N-(4-bromo-2-nitrophenyl)-4-chloro-2-fluoroaniline.
What is the SMILES notation for N-(4-bromo-2-nitrophenyl)-4-chloro-2-fluoroaniline?
The canonical SMILES for N-(4-bromo-2-nitrophenyl)-4-chloro-2-fluoroaniline is O=[N+]([O-])c1cc(Br)ccc1Nc1ccc(Cl)cc1F.
What is the InChIKey of N-(4-bromo-2-nitrophenyl)-4-chloro-2-fluoroaniline?
The InChIKey is DZUDYHVPWISIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClFN2O2/c13-7-1-3-11(12(5-7)17(18)19)16-10-4-2-8(14)6-9(10)15/h1-6,16H.
What are the key properties of N-(4-bromo-2-nitrophenyl)-4-chloro-2-fluoroaniline?
N-(4-bromo-2-nitrophenyl)-4-chloro-2-fluoroaniline has a molecular weight of 345.56 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-nitrophenyl)-4-chloro-2-fluoroaniline is sourced from PubChem (CID 63463983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).