N-(5-amino-2-bromophenyl)benzamide

C13H11BrN2O — CID 833748

IUPACN-(5-amino-2-bromophenyl)benzamide
SMILESNc1ccc(Br)c(NC(=O)c2ccccc2)c1
InChIInChI=1S/C13H11BrN2O/c14-11-7-6-10(15)8-12(11)16-13(17)9-4-2-1-3-5-9/h1-8H,15H2,(H,16,17)
InChIKeyKXXRCYFOQJBUKE-UHFFFAOYSA-N
MW291.15 g/mol
LogP3.28
Rot. Bonds2

About N-(5-amino-2-bromophenyl)benzamide

N-(5-amino-2-bromophenyl)benzamide (PubChem CID 833748) has the molecular formula C13H11BrN2O and a molecular weight of 291.15 g/mol. Its IUPAC name is N-(5-amino-2-bromophenyl)benzamide.

Molecular Properties

Compound NameN-(5-amino-2-bromophenyl)benzamide
PubChem CID833748
Molecular FormulaC13H11BrN2O
Molecular Weight291.15 g/mol
Exact Mass290.01
IUPAC NameN-(5-amino-2-bromophenyl)benzamide
SMILESNc1ccc(Br)c(NC(=O)c2ccccc2)c1
InChIInChI=1S/C13H11BrN2O/c14-11-7-6-10(15)8-12(11)16-13(17)9-4-2-1-3-5-9/h1-8H,15H2,(H,16,17)
InChIKeyKXXRCYFOQJBUKE-UHFFFAOYSA-N
XLogP3.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 53.28
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

3-[(3-aminobenzoyl)amino]-4-bromobenzoic acid
CID 107813567
3-amino-N-(2,5-dibromophenyl)benzamide
CID 43714178
3-amino-N-(2-bromo-5-methylphenyl)benzamide
CID 82761550
4-bromo-3-[[4-[(2-bromo-5-carboxyphenyl)carbamoyl]benzoyl]amino]benzoic acid
CID 102504163
5-amino-2-benzamidobenzenesulfonic acid
CID 19865734
N-(4-amino-2-bromophenyl)-3-hydroxybenzamide
CID 43549560
4-benzamido-N-(2-bromophenyl)benzamide
CID 17153303
N-(5-amino-2-chlorophenyl)-3-bromobenzamide
CID 28866832
N-(5-amino-2-bromophenyl)-5-fluoro-2-hydroxybenzamide
CID 115298391
N-(5-amino-2-methylphenyl)-4-phenoxybenzamide
CID 57326481
N-(5-amino-2-phenylphenyl)-4-(hydroxymethyl)benzamide
CID 174575864
4-amino-2-[(5-bromothiophene-3-carbonyl)amino]benzoic acid
CID 107959455

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-bromophenyl)benzamide?
The IUPAC name of N-(5-amino-2-bromophenyl)benzamide (CID 833748) is N-(5-amino-2-bromophenyl)benzamide.
What is the SMILES notation for N-(5-amino-2-bromophenyl)benzamide?
The canonical SMILES for N-(5-amino-2-bromophenyl)benzamide is Nc1ccc(Br)c(NC(=O)c2ccccc2)c1.
What is the InChIKey of N-(5-amino-2-bromophenyl)benzamide?
The InChIKey is KXXRCYFOQJBUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O/c14-11-7-6-10(15)8-12(11)16-13(17)9-4-2-1-3-5-9/h1-8H,15H2,(H,16,17).
What are the key properties of N-(5-amino-2-bromophenyl)benzamide?
N-(5-amino-2-bromophenyl)benzamide has a molecular weight of 291.15 g/mol, XLogP of 3.28, 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-bromophenyl)benzamide is sourced from PubChem (CID 833748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).