5-amino-2-(5-bromo-2-methoxyanilino)-3-chlorobenzamide

C14H13BrClN3O2 — CID 107195194

IUPAC5-amino-2-(5-bromo-2-methoxyanilino)-3-chlorobenzamide
SMILESCOc1ccc(Br)cc1Nc1c(Cl)cc(N)cc1C(N)=O
InChIInChI=1S/C14H13BrClN3O2/c1-21-12-3-2-7(15)4-11(12)19-13-9(14(18)20)5-8(17)6-10(13)16/h2-6,19H,17H2,1H3,(H2,18,20)
InChIKeyIYFCMMBXVVUIHC-UHFFFAOYSA-N
MW370.63 g/mol
LogP3.54
Rot. Bonds4

About 5-amino-2-(5-bromo-2-methoxyanilino)-3-chlorobenzamide

5-amino-2-(5-bromo-2-methoxyanilino)-3-chlorobenzamide (PubChem CID 107195194) has the molecular formula C14H13BrClN3O2 and a molecular weight of 370.63 g/mol. Its IUPAC name is 5-amino-2-(5-bromo-2-methoxyanilino)-3-chlorobenzamide.

Molecular Properties

Compound Name5-amino-2-(5-bromo-2-methoxyanilino)-3-chlorobenzamide
PubChem CID107195194
Molecular FormulaC14H13BrClN3O2
Molecular Weight370.63 g/mol
Exact Mass368.99
IUPAC Name5-amino-2-(5-bromo-2-methoxyanilino)-3-chlorobenzamide
SMILESCOc1ccc(Br)cc1Nc1c(Cl)cc(N)cc1C(N)=O
InChIInChI=1S/C14H13BrClN3O2/c1-21-12-3-2-7(15)4-11(12)19-13-9(14(18)20)5-8(17)6-10(13)16/h2-6,19H,17H2,1H3,(H2,18,20)
InChIKeyIYFCMMBXVVUIHC-UHFFFAOYSA-N
XLogP3.54
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.63
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-2-(5-bromo-2-methoxyanilino)-3-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-3-chloro-2-(2-methoxy-5-methylanilino)benzoic acid
CID 107192996
methyl 5-amino-2-(5-bromo-2-methylanilino)-3-chlorobenzoate
CID 107194293
5-amino-2-(5-bromo-2-methylanilino)-3-chlorobenzoic acid
CID 107194297
5-amino-3-chloro-2-(2-fluoro-5-methoxyanilino)benzamide
CID 107196316
5-amino-2-(4-bromo-2,3-dichloroanilino)-3-chlorobenzamide
CID 107792965
5-amino-2-(2-bromo-4-chloroanilino)-3-chlorobenzamide
CID 107196396
5-amino-3-chloro-2-(2,5-dibromoanilino)benzoic acid
CID 107194856
5-amino-3-chloro-2-(2-chloroanilino)benzamide
CID 107193224
5-amino-3-chloro-2-(2-chloro-4-fluoroanilino)benzamide
CID 107192270
2-(5-bromo-2-methoxyanilino)-5-chlorobenzenecarbothioamide
CID 63518556
5-amino-3-chloro-2-(4-fluoro-2-methylanilino)benzamide
CID 107193351
5-amino-N-(4-bromo-2,6-dichlorophenyl)-2-methoxybenzamide
CID 61094355

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(5-bromo-2-methoxyanilino)-3-chlorobenzamide?
The IUPAC name of 5-amino-2-(5-bromo-2-methoxyanilino)-3-chlorobenzamide (CID 107195194) is 5-amino-2-(5-bromo-2-methoxyanilino)-3-chlorobenzamide.
What is the SMILES notation for 5-amino-2-(5-bromo-2-methoxyanilino)-3-chlorobenzamide?
The canonical SMILES for 5-amino-2-(5-bromo-2-methoxyanilino)-3-chlorobenzamide is COc1ccc(Br)cc1Nc1c(Cl)cc(N)cc1C(N)=O.
What is the InChIKey of 5-amino-2-(5-bromo-2-methoxyanilino)-3-chlorobenzamide?
The InChIKey is IYFCMMBXVVUIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClN3O2/c1-21-12-3-2-7(15)4-11(12)19-13-9(14(18)20)5-8(17)6-10(13)16/h2-6,19H,17H2,1H3,(H2,18,20).
What are the key properties of 5-amino-2-(5-bromo-2-methoxyanilino)-3-chlorobenzamide?
5-amino-2-(5-bromo-2-methoxyanilino)-3-chlorobenzamide has a molecular weight of 370.63 g/mol, XLogP of 3.54, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(5-bromo-2-methoxyanilino)-3-chlorobenzamide is sourced from PubChem (CID 107195194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).