4-amino-3-(2-bromoanilino)benzamide

C13H12BrN3O — CID 55191226

IUPAC4-amino-3-(2-bromoanilino)benzamide
SMILESNC(=O)c1ccc(N)c(Nc2ccccc2Br)c1
InChIInChI=1S/C13H12BrN3O/c14-9-3-1-2-4-11(9)17-12-7-8(13(16)18)5-6-10(12)15/h1-7,17H,15H2,(H2,16,18)
InChIKeyKLJYYMHQCFNAJN-UHFFFAOYSA-N
MW306.16 g/mol
LogP2.87
Rot. Bonds3

About 4-amino-3-(2-bromoanilino)benzamide

4-amino-3-(2-bromoanilino)benzamide (PubChem CID 55191226) has the molecular formula C13H12BrN3O and a molecular weight of 306.16 g/mol. Its IUPAC name is 4-amino-3-(2-bromoanilino)benzamide.

Molecular Properties

Compound Name4-amino-3-(2-bromoanilino)benzamide
PubChem CID55191226
Molecular FormulaC13H12BrN3O
Molecular Weight306.16 g/mol
Exact Mass305.02
IUPAC Name4-amino-3-(2-bromoanilino)benzamide
SMILESNC(=O)c1ccc(N)c(Nc2ccccc2Br)c1
InChIInChI=1S/C13H12BrN3O/c14-9-3-1-2-4-11(9)17-12-7-8(13(16)18)5-6-10(12)15/h1-7,17H,15H2,(H2,16,18)
InChIKeyKLJYYMHQCFNAJN-UHFFFAOYSA-N
XLogP2.87
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 52.87
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

4-amino-3-(2,6-dibromoanilino)benzamide
CID 107596524
methyl 4-amino-3-(2-bromoanilino)benzoate
CID 82785601
4-amino-3-(2-bromoanilino)-N,N-dimethylbenzamide
CID 63360647
4-amino-3-(4-bromoanilino)benzamide
CID 63356088
4-amino-3-(4-bromo-2,3-dichloroanilino)benzamide
CID 107787000
4-amino-3-(2-bromo-4-cyanoanilino)benzamide
CID 107787252
4-amino-3-[2-(difluoromethoxy)anilino]benzamide
CID 63355916
4-amino-3-(2,6-dichloroanilino)benzamide
CID 65468318
4-amino-3-(3-iodoanilino)benzamide
CID 63355912
3-amino-4-[[4-(2-amino-3-bromoanilino)-2,3-dimethylbut-2-enyl]amino]benzamide
CID 138523815
4-amino-3-(4-methylsulfonylanilino)benzamide
CID 63355958
4-amino-3-(2-bromo-5-methylanilino)benzoic acid
CID 82796286

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-bromoanilino)benzamide?
The IUPAC name of 4-amino-3-(2-bromoanilino)benzamide (CID 55191226) is 4-amino-3-(2-bromoanilino)benzamide.
What is the SMILES notation for 4-amino-3-(2-bromoanilino)benzamide?
The canonical SMILES for 4-amino-3-(2-bromoanilino)benzamide is NC(=O)c1ccc(N)c(Nc2ccccc2Br)c1.
What is the InChIKey of 4-amino-3-(2-bromoanilino)benzamide?
The InChIKey is KLJYYMHQCFNAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O/c14-9-3-1-2-4-11(9)17-12-7-8(13(16)18)5-6-10(12)15/h1-7,17H,15H2,(H2,16,18).
What are the key properties of 4-amino-3-(2-bromoanilino)benzamide?
4-amino-3-(2-bromoanilino)benzamide has a molecular weight of 306.16 g/mol, XLogP of 2.87, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-bromoanilino)benzamide is sourced from PubChem (CID 55191226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).