N-(3-amino-4-chlorophenyl)-2-bromo-5-fluorobenzamide

C13H9BrClFN2O — CID 16777113

IUPACN-(3-amino-4-chlorophenyl)-2-bromo-5-fluorobenzamide
SMILESNc1cc(NC(=O)c2cc(F)ccc2Br)ccc1Cl
InChIInChI=1S/C13H9BrClFN2O/c14-10-3-1-7(16)5-9(10)13(19)18-8-2-4-11(15)12(17)6-8/h1-6H,17H2,(H,18,19)
InChIKeyDVKWXNPMQIGEMA-UHFFFAOYSA-N
MW343.58 g/mol
LogP4.08
Rot. Bonds2

About N-(3-amino-4-chlorophenyl)-2-bromo-5-fluorobenzamide

N-(3-amino-4-chlorophenyl)-2-bromo-5-fluorobenzamide (PubChem CID 16777113) has the molecular formula C13H9BrClFN2O and a molecular weight of 343.58 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-2-bromo-5-fluorobenzamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-2-bromo-5-fluorobenzamide
PubChem CID16777113
Molecular FormulaC13H9BrClFN2O
Molecular Weight343.58 g/mol
Exact Mass341.96
IUPAC NameN-(3-amino-4-chlorophenyl)-2-bromo-5-fluorobenzamide
SMILESNc1cc(NC(=O)c2cc(F)ccc2Br)ccc1Cl
InChIInChI=1S/C13H9BrClFN2O/c14-10-3-1-7(16)5-9(10)13(19)18-8-2-4-11(15)12(17)6-8/h1-6H,17H2,(H,18,19)
InChIKeyDVKWXNPMQIGEMA-UHFFFAOYSA-N
XLogP4.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.58
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-4-fluorophenyl)-2-bromo-5-fluorobenzamide
CID 16777839
2-bromo-N-(4-chloro-3-hydroxyphenyl)-5-fluorobenzamide
CID 64789249
N-(3-amino-4-chlorophenyl)-2-bromo-5-methylbenzamide
CID 81110900
N-(3-amino-4-chlorophenyl)-2,4-dibromobenzamide
CID 107937325
N-(2-amino-4,6-dichlorophenyl)-2-bromo-5-fluorobenzamide
CID 16774955
2-bromo-5-fluoro-N-pyridin-4-ylbenzamide
CID 24689645
2-bromo-5-fluoro-N-(4-sulfamoylphenyl)benzamide
CID 9035116
2-bromo-N-(2,6-dichlorophenyl)-5-fluorobenzamide
CID 60667247
N-(3-amino-4-chlorophenyl)-5-bromo-2-hydroxybenzamide
CID 107729182
N-(3-amino-4-chlorophenyl)-2-chloro-3-fluorobenzamide
CID 81454097
4-[(2-bromo-5-fluorobenzoyl)amino]benzenesulfonyl chloride
CID 43102869
2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-5-fluorobenzamide
CID 104724173

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-2-bromo-5-fluorobenzamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-2-bromo-5-fluorobenzamide (CID 16777113) is N-(3-amino-4-chlorophenyl)-2-bromo-5-fluorobenzamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-2-bromo-5-fluorobenzamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-2-bromo-5-fluorobenzamide is Nc1cc(NC(=O)c2cc(F)ccc2Br)ccc1Cl.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-2-bromo-5-fluorobenzamide?
The InChIKey is DVKWXNPMQIGEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClFN2O/c14-10-3-1-7(16)5-9(10)13(19)18-8-2-4-11(15)12(17)6-8/h1-6H,17H2,(H,18,19).
What are the key properties of N-(3-amino-4-chlorophenyl)-2-bromo-5-fluorobenzamide?
N-(3-amino-4-chlorophenyl)-2-bromo-5-fluorobenzamide has a molecular weight of 343.58 g/mol, XLogP of 4.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)-2-bromo-5-fluorobenzamide is sourced from PubChem (CID 16777113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).