3,5-dibromo-N-(3-chloro-4-nitrophenyl)benzamide

C13H7Br2ClN2O3 — CID 107980537

IUPAC3,5-dibromo-N-(3-chloro-4-nitrophenyl)benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C13H7Br2ClN2O3/c14-8-3-7(4-9(15)5-8)13(19)17-10-1-2-12(18(20)21)11(16)6-10/h1-6H,(H,17,19)
InChIKeyZFVWZQYIQNBMIA-UHFFFAOYSA-N
MW434.47 g/mol
LogP5.03
Rot. Bonds3

About 3,5-dibromo-N-(3-chloro-4-nitrophenyl)benzamide

3,5-dibromo-N-(3-chloro-4-nitrophenyl)benzamide (PubChem CID 107980537) has the molecular formula C13H7Br2ClN2O3 and a molecular weight of 434.47 g/mol. Its IUPAC name is 3,5-dibromo-N-(3-chloro-4-nitrophenyl)benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-(3-chloro-4-nitrophenyl)benzamide
PubChem CID107980537
Molecular FormulaC13H7Br2ClN2O3
Molecular Weight434.47 g/mol
Exact Mass431.85
IUPAC Name3,5-dibromo-N-(3-chloro-4-nitrophenyl)benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C13H7Br2ClN2O3/c14-8-3-7(4-9(15)5-8)13(19)17-10-1-2-12(18(20)21)11(16)6-10/h1-6H,(H,17,19)
InChIKeyZFVWZQYIQNBMIA-UHFFFAOYSA-N
XLogP5.03
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.47
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-3-chlorophenyl)-3-chloro-4-nitrobenzamide
CID 107619731
3-bromo-4-chloro-N-(3-chloro-4-nitrophenyl)benzamide
CID 107999621
2-N,5-N-bis(3-chloro-4-nitrophenyl)pyridine-2,5-dicarboxamide
CID 4294395
5-bromo-N-(3-chloro-4-nitrophenyl)-2-methylbenzamide
CID 79012178
3,5-dibromo-N-(3-chloro-4-hydroxyphenyl)benzamide
CID 107972808
N-(4-amino-3-chlorophenyl)-3,5-dibromobenzamide
CID 107971082
4,5-dibromo-N-(3-chloro-4-nitrophenyl)thiophene-2-carboxamide
CID 78924091
N-(3-chloro-4-nitrophenyl)-5-iodothiophene-3-carboxamide
CID 78948733
N-(3,4-dichlorophenyl)-3-fluoro-4-nitrobenzamide
CID 62680379
N-(3-chloro-4-nitrophenyl)-6-fluoropyridine-3-carboxamide
CID 78962697
2-amino-N-(3-chloro-4-nitrophenyl)-5-methylbenzamide
CID 82865772
3-bromo-4-chloro-N-(3-fluoro-4-nitrophenyl)benzamide
CID 103852321

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(3-chloro-4-nitrophenyl)benzamide?
The IUPAC name of 3,5-dibromo-N-(3-chloro-4-nitrophenyl)benzamide (CID 107980537) is 3,5-dibromo-N-(3-chloro-4-nitrophenyl)benzamide.
What is the SMILES notation for 3,5-dibromo-N-(3-chloro-4-nitrophenyl)benzamide?
The canonical SMILES for 3,5-dibromo-N-(3-chloro-4-nitrophenyl)benzamide is O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-(3-chloro-4-nitrophenyl)benzamide?
The InChIKey is ZFVWZQYIQNBMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br2ClN2O3/c14-8-3-7(4-9(15)5-8)13(19)17-10-1-2-12(18(20)21)11(16)6-10/h1-6H,(H,17,19).
What are the key properties of 3,5-dibromo-N-(3-chloro-4-nitrophenyl)benzamide?
3,5-dibromo-N-(3-chloro-4-nitrophenyl)benzamide has a molecular weight of 434.47 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-(3-chloro-4-nitrophenyl)benzamide is sourced from PubChem (CID 107980537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).