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

C13H9BrClFN2O — CID 103477081

IUPAC3-amino-N-(2-bromo-3-chlorophenyl)-5-fluorobenzamide
SMILESNc1cc(F)cc(C(=O)Nc2cccc(Cl)c2Br)c1
InChIInChI=1S/C13H9BrClFN2O/c14-12-10(15)2-1-3-11(12)18-13(19)7-4-8(16)6-9(17)5-7/h1-6H,17H2,(H,18,19)
InChIKeyOLLWBHYOVWMIMF-UHFFFAOYSA-N
MW343.58 g/mol
LogP4.08
Rot. Bonds2

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

3-amino-N-(2-bromo-3-chlorophenyl)-5-fluorobenzamide (PubChem CID 103477081) has the molecular formula C13H9BrClFN2O and a molecular weight of 343.58 g/mol. Its IUPAC name is 3-amino-N-(2-bromo-3-chlorophenyl)-5-fluorobenzamide.

Molecular Properties

Compound Name3-amino-N-(2-bromo-3-chlorophenyl)-5-fluorobenzamide
PubChem CID103477081
Molecular FormulaC13H9BrClFN2O
Molecular Weight343.58 g/mol
Exact Mass341.96
IUPAC Name3-amino-N-(2-bromo-3-chlorophenyl)-5-fluorobenzamide
SMILESNc1cc(F)cc(C(=O)Nc2cccc(Cl)c2Br)c1
InChIInChI=1S/C13H9BrClFN2O/c14-12-10(15)2-1-3-11(12)18-13(19)7-4-8(16)6-9(17)5-7/h1-6H,17H2,(H,18,19)
InChIKeyOLLWBHYOVWMIMF-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-(2-bromo-3-chlorophenyl)-3-fluorobenzamide
CID 103479730
N-(2-bromo-3-chlorophenyl)-3-fluoro-5-nitrobenzamide
CID 103479948
3,5-diamino-N-(3-chloro-2-fluorophenyl)benzamide
CID 61093166
N-(2-bromo-3-chlorophenyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 103481479
3,5-dibromo-N-(2-bromo-3-chlorophenyl)benzamide
CID 107972381
3-amino-N-(2-bromo-3-chlorophenyl)-2,5-difluorobenzamide
CID 107121554
2-amino-N-(2-bromo-3-chlorophenyl)-5-fluorobenzamide
CID 103477110
2-amino-N-(2-bromo-3-chlorophenyl)-4-fluorobenzamide
CID 103477086
2-amino-N-(2-bromo-3-chlorophenyl)-4,5-difluorobenzamide
CID 103477239
N-(2-bromo-3-chlorophenyl)-4-fluoro-3-methylbenzamide
CID 103478813
N-(2-bromo-3-chlorophenyl)-3-chloro-5-methylbenzamide
CID 103479767
N-(2-bromo-3-chlorophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 103479830

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-bromo-3-chlorophenyl)-5-fluorobenzamide?
The IUPAC name of 3-amino-N-(2-bromo-3-chlorophenyl)-5-fluorobenzamide (CID 103477081) is 3-amino-N-(2-bromo-3-chlorophenyl)-5-fluorobenzamide.
What is the SMILES notation for 3-amino-N-(2-bromo-3-chlorophenyl)-5-fluorobenzamide?
The canonical SMILES for 3-amino-N-(2-bromo-3-chlorophenyl)-5-fluorobenzamide is Nc1cc(F)cc(C(=O)Nc2cccc(Cl)c2Br)c1.
What is the InChIKey of 3-amino-N-(2-bromo-3-chlorophenyl)-5-fluorobenzamide?
The InChIKey is OLLWBHYOVWMIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClFN2O/c14-12-10(15)2-1-3-11(12)18-13(19)7-4-8(16)6-9(17)5-7/h1-6H,17H2,(H,18,19).
What are the key properties of 3-amino-N-(2-bromo-3-chlorophenyl)-5-fluorobenzamide?
3-amino-N-(2-bromo-3-chlorophenyl)-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 3-amino-N-(2-bromo-3-chlorophenyl)-5-fluorobenzamide is sourced from PubChem (CID 103477081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).