N-(4-bromo-3-chlorophenyl)-3-chloro-4-nitrobenzamide

C13H7BrCl2N2O3 — CID 107619731

IUPACN-(4-bromo-3-chlorophenyl)-3-chloro-4-nitrobenzamide
SMILESO=C(Nc1ccc(Br)c(Cl)c1)c1ccc([N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C13H7BrCl2N2O3/c14-9-3-2-8(6-10(9)15)17-13(19)7-1-4-12(18(20)21)11(16)5-7/h1-6H,(H,17,19)
InChIKeyYEMDPSMHXXRJQB-UHFFFAOYSA-N
MW390.02 g/mol
LogP4.92
Rot. Bonds3

About N-(4-bromo-3-chlorophenyl)-3-chloro-4-nitrobenzamide

N-(4-bromo-3-chlorophenyl)-3-chloro-4-nitrobenzamide (PubChem CID 107619731) has the molecular formula C13H7BrCl2N2O3 and a molecular weight of 390.02 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-3-chloro-4-nitrobenzamide.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-3-chloro-4-nitrobenzamide
PubChem CID107619731
Molecular FormulaC13H7BrCl2N2O3
Molecular Weight390.02 g/mol
Exact Mass387.90
IUPAC NameN-(4-bromo-3-chlorophenyl)-3-chloro-4-nitrobenzamide
SMILESO=C(Nc1ccc(Br)c(Cl)c1)c1ccc([N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C13H7BrCl2N2O3/c14-9-3-2-8(6-10(9)15)17-13(19)7-1-4-12(18(20)21)11(16)5-7/h1-6H,(H,17,19)
InChIKeyYEMDPSMHXXRJQB-UHFFFAOYSA-N
XLogP4.92
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.02
LogP ≤ 54.92
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

3-bromo-4-chloro-N-(3-chloro-4-nitrophenyl)benzamide
CID 107999621
3,5-dibromo-N-(3-chloro-4-nitrophenyl)benzamide
CID 107980537
4-bromo-N-(3-chloro-4-methylphenyl)-3-nitrobenzamide
CID 26087185
3-bromo-4-chloro-N-(3-fluoro-4-nitrophenyl)benzamide
CID 103852321
4,5-dibromo-N-(3-chloro-4-nitrophenyl)thiophene-2-carboxamide
CID 78924091
2-N,5-N-bis(3-chloro-4-nitrophenyl)pyridine-2,5-dicarboxamide
CID 4294395
N-(3,4-dichlorophenyl)-3-fluoro-4-nitrobenzamide
CID 62680379
4-bromo-3-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 81307032
N-(4-bromo-3-chlorophenyl)-3-chloro-4-iodobenzamide
CID 107613087
3-amino-N-(3,4-dichlorophenyl)-4-nitrobenzamide
CID 62680652
4-bromo-3-chloro-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 80961600
4-bromo-3-chloro-N-(3-fluoro-5-nitrophenyl)benzamide
CID 107335305

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-3-chloro-4-nitrobenzamide?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-3-chloro-4-nitrobenzamide (CID 107619731) is N-(4-bromo-3-chlorophenyl)-3-chloro-4-nitrobenzamide.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-3-chloro-4-nitrobenzamide?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-3-chloro-4-nitrobenzamide is O=C(Nc1ccc(Br)c(Cl)c1)c1ccc([N+](=O)[O-])c(Cl)c1.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-3-chloro-4-nitrobenzamide?
The InChIKey is YEMDPSMHXXRJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrCl2N2O3/c14-9-3-2-8(6-10(9)15)17-13(19)7-1-4-12(18(20)21)11(16)5-7/h1-6H,(H,17,19).
What are the key properties of N-(4-bromo-3-chlorophenyl)-3-chloro-4-nitrobenzamide?
N-(4-bromo-3-chlorophenyl)-3-chloro-4-nitrobenzamide has a molecular weight of 390.02 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-chlorophenyl)-3-chloro-4-nitrobenzamide is sourced from PubChem (CID 107619731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).