N-(5-amino-2,4-difluorophenyl)-5-bromo-2-hydroxybenzamide

C13H9BrF2N2O2 — CID 107729211

IUPACN-(5-amino-2,4-difluorophenyl)-5-bromo-2-hydroxybenzamide
SMILESNc1cc(NC(=O)c2cc(Br)ccc2O)c(F)cc1F
InChIInChI=1S/C13H9BrF2N2O2/c14-6-1-2-12(19)7(3-6)13(20)18-11-5-10(17)8(15)4-9(11)16/h1-5,19H,17H2,(H,18,20)
InChIKeyATTBXOOSFYUTEL-UHFFFAOYSA-N
MW343.13 g/mol
LogP3.27
Rot. Bonds2

About N-(5-amino-2,4-difluorophenyl)-5-bromo-2-hydroxybenzamide

N-(5-amino-2,4-difluorophenyl)-5-bromo-2-hydroxybenzamide (PubChem CID 107729211) has the molecular formula C13H9BrF2N2O2 and a molecular weight of 343.13 g/mol. Its IUPAC name is N-(5-amino-2,4-difluorophenyl)-5-bromo-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(5-amino-2,4-difluorophenyl)-5-bromo-2-hydroxybenzamide
PubChem CID107729211
Molecular FormulaC13H9BrF2N2O2
Molecular Weight343.13 g/mol
Exact Mass341.98
IUPAC NameN-(5-amino-2,4-difluorophenyl)-5-bromo-2-hydroxybenzamide
SMILESNc1cc(NC(=O)c2cc(Br)ccc2O)c(F)cc1F
InChIInChI=1S/C13H9BrF2N2O2/c14-6-1-2-12(19)7(3-6)13(20)18-11-5-10(17)8(15)4-9(11)16/h1-5,19H,17H2,(H,18,20)
InChIKeyATTBXOOSFYUTEL-UHFFFAOYSA-N
XLogP3.27
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.13
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2,4-difluorophenyl)-5-bromo-2-chlorobenzamide
CID 43549777
N-(5-amino-2,4-difluorophenyl)-4-bromo-2-fluorobenzamide
CID 43549821
5-bromo-N-(4-bromo-2,5-difluorophenyl)-2-hydroxybenzamide
CID 107729675
5-amino-N-(4-bromo-2-fluorophenyl)-2,4-difluorobenzamide
CID 61090845
5-bromo-N-(2,4-difluorophenyl)-2-hydroxybenzamide
CID 2804653
5-amino-2-bromo-N-(5-bromo-2-fluorophenyl)-4-fluorobenzamide
CID 62814551
N-(4-bromo-2-fluorophenyl)-5-fluoro-2-hydroxybenzamide
CID 115298780
N-(2-amino-4-methoxyphenyl)-5-bromo-2-hydroxybenzamide
CID 107729175
N-(5-bromo-2-fluorophenyl)-3,4-dihydroxybenzamide
CID 103955653
5-amino-N-(5-bromo-2-fluorophenyl)-2,4-dimethylbenzamide
CID 102705048
N-(2-amino-4-fluorophenyl)-5-fluoro-2-hydroxybenzamide
CID 115298308
4-bromo-2-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid
CID 107729310

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,4-difluorophenyl)-5-bromo-2-hydroxybenzamide?
The IUPAC name of N-(5-amino-2,4-difluorophenyl)-5-bromo-2-hydroxybenzamide (CID 107729211) is N-(5-amino-2,4-difluorophenyl)-5-bromo-2-hydroxybenzamide.
What is the SMILES notation for N-(5-amino-2,4-difluorophenyl)-5-bromo-2-hydroxybenzamide?
The canonical SMILES for N-(5-amino-2,4-difluorophenyl)-5-bromo-2-hydroxybenzamide is Nc1cc(NC(=O)c2cc(Br)ccc2O)c(F)cc1F.
What is the InChIKey of N-(5-amino-2,4-difluorophenyl)-5-bromo-2-hydroxybenzamide?
The InChIKey is ATTBXOOSFYUTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF2N2O2/c14-6-1-2-12(19)7(3-6)13(20)18-11-5-10(17)8(15)4-9(11)16/h1-5,19H,17H2,(H,18,20).
What are the key properties of N-(5-amino-2,4-difluorophenyl)-5-bromo-2-hydroxybenzamide?
N-(5-amino-2,4-difluorophenyl)-5-bromo-2-hydroxybenzamide has a molecular weight of 343.13 g/mol, XLogP of 3.27, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2,4-difluorophenyl)-5-bromo-2-hydroxybenzamide is sourced from PubChem (CID 107729211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).