N-(4-amino-3-bromophenyl)-2-fluoro-4-hydroxybenzamide

C13H10BrFN2O2 — CID 107674599

IUPACN-(4-amino-3-bromophenyl)-2-fluoro-4-hydroxybenzamide
SMILESNc1ccc(NC(=O)c2ccc(O)cc2F)cc1Br
InChIInChI=1S/C13H10BrFN2O2/c14-10-5-7(1-4-12(10)16)17-13(19)9-3-2-8(18)6-11(9)15/h1-6,18H,16H2,(H,17,19)
InChIKeyVLMSEFRCOIBUSC-UHFFFAOYSA-N
MW325.14 g/mol
LogP3.13
Rot. Bonds2

About N-(4-amino-3-bromophenyl)-2-fluoro-4-hydroxybenzamide

N-(4-amino-3-bromophenyl)-2-fluoro-4-hydroxybenzamide (PubChem CID 107674599) has the molecular formula C13H10BrFN2O2 and a molecular weight of 325.14 g/mol. Its IUPAC name is N-(4-amino-3-bromophenyl)-2-fluoro-4-hydroxybenzamide.

Molecular Properties

Compound NameN-(4-amino-3-bromophenyl)-2-fluoro-4-hydroxybenzamide
PubChem CID107674599
Molecular FormulaC13H10BrFN2O2
Molecular Weight325.14 g/mol
Exact Mass323.99
IUPAC NameN-(4-amino-3-bromophenyl)-2-fluoro-4-hydroxybenzamide
SMILESNc1ccc(NC(=O)c2ccc(O)cc2F)cc1Br
InChIInChI=1S/C13H10BrFN2O2/c14-10-5-7(1-4-12(10)16)17-13(19)9-3-2-8(18)6-11(9)15/h1-6,18H,16H2,(H,17,19)
InChIKeyVLMSEFRCOIBUSC-UHFFFAOYSA-N
XLogP3.13
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.14
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-amino-3-bromophenyl)-2-fluoro-4-hydroxybenzamide 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

N-(4-amino-3-bromophenyl)-2,4-dihydroxybenzamide
CID 107721508
2-amino-N-(4-bromo-3-fluorophenyl)-5-hydroxybenzamide
CID 107075499
N-(4-amino-3-fluorophenyl)-2,4-dihydroxybenzamide
CID 107721506
N-(4-chloro-3-fluorophenyl)-2-fluoro-4-hydroxybenzamide
CID 103941277
2-amino-N-(4-fluoro-3-methylphenyl)-5-hydroxybenzamide
CID 107075174
N-(4-amino-3-chlorophenyl)-4-bromo-2-fluorobenzamide
CID 82861279
N-(4-amino-3-bromophenyl)-2-chloro-3-fluorobenzamide
CID 82862154
N-(2-bromo-6-fluorophenyl)-2-fluoro-4-hydroxybenzamide
CID 107676888
N-(4-amino-3-bromophenyl)-3-hydroxybenzamide
CID 82861483
N-(4-amino-3-bromophenyl)-2,5-dibromobenzamide
CID 114367768
N-(2-bromo-4-fluorophenyl)-2-fluoro-4-hydroxybenzamide
CID 107676284
N-(4-bromo-3-chlorophenyl)-4-chloro-2-fluorobenzamide
CID 100533267

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-bromophenyl)-2-fluoro-4-hydroxybenzamide?
The IUPAC name of N-(4-amino-3-bromophenyl)-2-fluoro-4-hydroxybenzamide (CID 107674599) is N-(4-amino-3-bromophenyl)-2-fluoro-4-hydroxybenzamide.
What is the SMILES notation for N-(4-amino-3-bromophenyl)-2-fluoro-4-hydroxybenzamide?
The canonical SMILES for N-(4-amino-3-bromophenyl)-2-fluoro-4-hydroxybenzamide is Nc1ccc(NC(=O)c2ccc(O)cc2F)cc1Br.
What is the InChIKey of N-(4-amino-3-bromophenyl)-2-fluoro-4-hydroxybenzamide?
The InChIKey is VLMSEFRCOIBUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN2O2/c14-10-5-7(1-4-12(10)16)17-13(19)9-3-2-8(18)6-11(9)15/h1-6,18H,16H2,(H,17,19).
What are the key properties of N-(4-amino-3-bromophenyl)-2-fluoro-4-hydroxybenzamide?
N-(4-amino-3-bromophenyl)-2-fluoro-4-hydroxybenzamide has a molecular weight of 325.14 g/mol, XLogP of 3.13, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-bromophenyl)-2-fluoro-4-hydroxybenzamide is sourced from PubChem (CID 107674599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).