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

C13H9BrClFN2O — CID 103477086

IUPAC2-amino-N-(2-bromo-3-chlorophenyl)-4-fluorobenzamide
SMILESNc1cc(F)ccc1C(=O)Nc1cccc(Cl)c1Br
InChIInChI=1S/C13H9BrClFN2O/c14-12-9(15)2-1-3-11(12)18-13(19)8-5-4-7(16)6-10(8)17/h1-6H,17H2,(H,18,19)
InChIKeyHAJIJLWEKIWXSM-UHFFFAOYSA-N
MW343.58 g/mol
LogP4.08
Rot. Bonds2

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

2-amino-N-(2-bromo-3-chlorophenyl)-4-fluorobenzamide (PubChem CID 103477086) has the molecular formula C13H9BrClFN2O and a molecular weight of 343.58 g/mol. Its IUPAC name is 2-amino-N-(2-bromo-3-chlorophenyl)-4-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N-(2-bromo-3-chlorophenyl)-4-fluorobenzamide
PubChem CID103477086
Molecular FormulaC13H9BrClFN2O
Molecular Weight343.58 g/mol
Exact Mass341.96
IUPAC Name2-amino-N-(2-bromo-3-chlorophenyl)-4-fluorobenzamide
SMILESNc1cc(F)ccc1C(=O)Nc1cccc(Cl)c1Br
InChIInChI=1S/C13H9BrClFN2O/c14-12-9(15)2-1-3-11(12)18-13(19)8-5-4-7(16)6-10(8)17/h1-6H,17H2,(H,18,19)
InChIKeyHAJIJLWEKIWXSM-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

2-amino-N-(2-bromo-3-chlorophenyl)-5-fluorobenzamide
CID 103477110
3-amino-N-(2-bromo-3-chlorophenyl)-2,5-difluorobenzamide
CID 107121554
2-amino-N-(2-bromo-3-chlorophenyl)-4,5-difluorobenzamide
CID 103477239
N-(2-bromo-3-chlorophenyl)-3-fluorobenzamide
CID 103479730
N-(2-bromo-3-chlorophenyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 103479739
3-amino-N-(2-bromo-3-chlorophenyl)-5-fluorobenzamide
CID 103477081
N-(2-amino-4-fluorophenyl)-3-chloro-2-fluorobenzamide
CID 81265128
2-amino-4-fluoro-N-(2-methylphenyl)benzamide
CID 62060652
2-amino-N-(2,5-dichloro-4-methylphenyl)-4-fluorobenzamide
CID 104725738
5-bromo-N-(2-bromo-3-chlorophenyl)-2-chlorobenzamide
CID 103479655
2-amino-N-(3-chlorophenyl)-4-fluorobenzamide
CID 55177097
5-amino-N-(2-bromo-3-chlorophenyl)-2-methylbenzamide
CID 103477113

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-bromo-3-chlorophenyl)-4-fluorobenzamide?
The IUPAC name of 2-amino-N-(2-bromo-3-chlorophenyl)-4-fluorobenzamide (CID 103477086) is 2-amino-N-(2-bromo-3-chlorophenyl)-4-fluorobenzamide.
What is the SMILES notation for 2-amino-N-(2-bromo-3-chlorophenyl)-4-fluorobenzamide?
The canonical SMILES for 2-amino-N-(2-bromo-3-chlorophenyl)-4-fluorobenzamide is Nc1cc(F)ccc1C(=O)Nc1cccc(Cl)c1Br.
What is the InChIKey of 2-amino-N-(2-bromo-3-chlorophenyl)-4-fluorobenzamide?
The InChIKey is HAJIJLWEKIWXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClFN2O/c14-12-9(15)2-1-3-11(12)18-13(19)8-5-4-7(16)6-10(8)17/h1-6H,17H2,(H,18,19).
What are the key properties of 2-amino-N-(2-bromo-3-chlorophenyl)-4-fluorobenzamide?
2-amino-N-(2-bromo-3-chlorophenyl)-4-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 2-amino-N-(2-bromo-3-chlorophenyl)-4-fluorobenzamide is sourced from PubChem (CID 103477086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).