N-(5-amino-2-fluorophenyl)-2-bromo-5-chlorobenzamide

C13H9BrClFN2O — CID 103805312

IUPACN-(5-amino-2-fluorophenyl)-2-bromo-5-chlorobenzamide
SMILESNc1ccc(F)c(NC(=O)c2cc(Cl)ccc2Br)c1
InChIInChI=1S/C13H9BrClFN2O/c14-10-3-1-7(15)5-9(10)13(19)18-12-6-8(17)2-4-11(12)16/h1-6H,17H2,(H,18,19)
InChIKeyVJZQGKYMJRMPQY-UHFFFAOYSA-N
MW343.58 g/mol
LogP4.08
Rot. Bonds2

About N-(5-amino-2-fluorophenyl)-2-bromo-5-chlorobenzamide

N-(5-amino-2-fluorophenyl)-2-bromo-5-chlorobenzamide (PubChem CID 103805312) has the molecular formula C13H9BrClFN2O and a molecular weight of 343.58 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-2-bromo-5-chlorobenzamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-2-bromo-5-chlorobenzamide
PubChem CID103805312
Molecular FormulaC13H9BrClFN2O
Molecular Weight343.58 g/mol
Exact Mass341.96
IUPAC NameN-(5-amino-2-fluorophenyl)-2-bromo-5-chlorobenzamide
SMILESNc1ccc(F)c(NC(=O)c2cc(Cl)ccc2Br)c1
InChIInChI=1S/C13H9BrClFN2O/c14-10-3-1-7(15)5-9(10)13(19)18-12-6-8(17)2-4-11(12)16/h1-6H,17H2,(H,18,19)
InChIKeyVJZQGKYMJRMPQY-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'}

Analyze N-(5-amino-2-fluorophenyl)-2-bromo-5-chlorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-2-bromo-N-(4-chloro-2-iodophenyl)benzamide
CID 107624145
2-[(5-amino-2-bromobenzoyl)amino]-4-chlorobenzoic acid
CID 115297196
N-(5-amino-2-chlorophenyl)-2,5-dibromobenzamide
CID 114367682
2,5-dibromo-N-(4-chloro-2-fluorophenyl)benzamide
CID 114370697
N-(5-amino-2-fluorophenyl)-2-bromo-6-fluorobenzamide
CID 115736640
N-(2-amino-5-chlorophenyl)-2,5-dibromobenzamide
CID 114367618
5-chloro-N-(5-chloro-2-fluorophenyl)-2-hydrazinylbenzamide
CID 62242667
2-bromo-N-(4-chloro-2-fluorophenyl)-5-methylbenzamide
CID 80948575
N-(2-amino-4-chlorophenyl)-2-bromo-5-methylbenzamide
CID 81109928
N-(5-amino-2-bromophenyl)-5-fluoro-2-hydroxybenzamide
CID 115298391
5-amino-2-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzamide
CID 107608774
5-amino-N-(2-bromo-5-chlorophenyl)-2-(dimethylamino)benzamide
CID 81252329

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-2-bromo-5-chlorobenzamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-2-bromo-5-chlorobenzamide (CID 103805312) is N-(5-amino-2-fluorophenyl)-2-bromo-5-chlorobenzamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-2-bromo-5-chlorobenzamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-2-bromo-5-chlorobenzamide is Nc1ccc(F)c(NC(=O)c2cc(Cl)ccc2Br)c1.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-2-bromo-5-chlorobenzamide?
The InChIKey is VJZQGKYMJRMPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClFN2O/c14-10-3-1-7(15)5-9(10)13(19)18-12-6-8(17)2-4-11(12)16/h1-6H,17H2,(H,18,19).
What are the key properties of N-(5-amino-2-fluorophenyl)-2-bromo-5-chlorobenzamide?
N-(5-amino-2-fluorophenyl)-2-bromo-5-chlorobenzamide 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-(5-amino-2-fluorophenyl)-2-bromo-5-chlorobenzamide is sourced from PubChem (CID 103805312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).