N-(4-amino-3-chlorophenyl)-3,5-dibromobenzamide

C13H9Br2ClN2O — CID 107971082

IUPACN-(4-amino-3-chlorophenyl)-3,5-dibromobenzamide
SMILESNc1ccc(NC(=O)c2cc(Br)cc(Br)c2)cc1Cl
InChIInChI=1S/C13H9Br2ClN2O/c14-8-3-7(4-9(15)5-8)13(19)18-10-1-2-12(17)11(16)6-10/h1-6H,17H2,(H,18,19)
InChIKeyWDXVBEFMVFECDS-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.70
Rot. Bonds2

About N-(4-amino-3-chlorophenyl)-3,5-dibromobenzamide

N-(4-amino-3-chlorophenyl)-3,5-dibromobenzamide (PubChem CID 107971082) has the molecular formula C13H9Br2ClN2O and a molecular weight of 404.49 g/mol. Its IUPAC name is N-(4-amino-3-chlorophenyl)-3,5-dibromobenzamide.

Molecular Properties

Compound NameN-(4-amino-3-chlorophenyl)-3,5-dibromobenzamide
PubChem CID107971082
Molecular FormulaC13H9Br2ClN2O
Molecular Weight404.49 g/mol
Exact Mass401.88
IUPAC NameN-(4-amino-3-chlorophenyl)-3,5-dibromobenzamide
SMILESNc1ccc(NC(=O)c2cc(Br)cc(Br)c2)cc1Cl
InChIInChI=1S/C13H9Br2ClN2O/c14-8-3-7(4-9(15)5-8)13(19)18-10-1-2-12(17)11(16)6-10/h1-6H,17H2,(H,18,19)
InChIKeyWDXVBEFMVFECDS-UHFFFAOYSA-N
XLogP4.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.70
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

N-(4-amino-3-methylphenyl)-3,5-dibromobenzamide
CID 107971017
3,5-dibromo-N-(3-chloro-4-hydroxyphenyl)benzamide
CID 107972808
N-(4-amino-3-chlorophenyl)-4-bromo-3-fluorobenzamide
CID 82861950
3,5-dibromo-N-(4-chloro-3-fluorophenyl)benzamide
CID 107980248
3,5-dibromo-N-(3-chloro-4-nitrophenyl)benzamide
CID 107980537
N-(4-amino-3-chlorophenyl)thiophene-3-carboxamide
CID 82862106
N-(4-amino-3-chlorophenyl)-4-bromo-2-fluorobenzamide
CID 82861279
N-(3-amino-4-methoxyphenyl)-3,5-dibromobenzamide
CID 107971090
(4-amino-3-chlorophenyl)carbamic acid
CID 18543733
N'-(4-amino-3-chlorophenyl)-N-(3-bromophenyl)oxamide
CID 108516155
3-bromo-N-(3-chloro-4-hydroxyphenyl)-5-fluorobenzamide
CID 63935702
N-(4-amino-3-chlorophenyl)-6-methylpyridine-3-carboxamide
CID 82862313

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-chlorophenyl)-3,5-dibromobenzamide?
The IUPAC name of N-(4-amino-3-chlorophenyl)-3,5-dibromobenzamide (CID 107971082) is N-(4-amino-3-chlorophenyl)-3,5-dibromobenzamide.
What is the SMILES notation for N-(4-amino-3-chlorophenyl)-3,5-dibromobenzamide?
The canonical SMILES for N-(4-amino-3-chlorophenyl)-3,5-dibromobenzamide is Nc1ccc(NC(=O)c2cc(Br)cc(Br)c2)cc1Cl.
What is the InChIKey of N-(4-amino-3-chlorophenyl)-3,5-dibromobenzamide?
The InChIKey is WDXVBEFMVFECDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2ClN2O/c14-8-3-7(4-9(15)5-8)13(19)18-10-1-2-12(17)11(16)6-10/h1-6H,17H2,(H,18,19).
What are the key properties of N-(4-amino-3-chlorophenyl)-3,5-dibromobenzamide?
N-(4-amino-3-chlorophenyl)-3,5-dibromobenzamide has a molecular weight of 404.49 g/mol, XLogP of 4.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-chlorophenyl)-3,5-dibromobenzamide is sourced from PubChem (CID 107971082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).