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

C14H10Br2N2O3 — CID 103910103

IUPAC3,5-dibromo-N-methyl-N-(4-nitrophenyl)benzamide
SMILESCN(C(=O)c1cc(Br)cc(Br)c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H10Br2N2O3/c1-17(12-2-4-13(5-3-12)18(20)21)14(19)9-6-10(15)8-11(16)7-9/h2-8H,1H3
InChIKeyUVMUCQBSGIIOFR-UHFFFAOYSA-N
MW414.05 g/mol
LogP4.40
Rot. Bonds3

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

3,5-dibromo-N-methyl-N-(4-nitrophenyl)benzamide (PubChem CID 103910103) has the molecular formula C14H10Br2N2O3 and a molecular weight of 414.05 g/mol. Its IUPAC name is 3,5-dibromo-N-methyl-N-(4-nitrophenyl)benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-methyl-N-(4-nitrophenyl)benzamide
PubChem CID103910103
Molecular FormulaC14H10Br2N2O3
Molecular Weight414.05 g/mol
Exact Mass411.91
IUPAC Name3,5-dibromo-N-methyl-N-(4-nitrophenyl)benzamide
SMILESCN(C(=O)c1cc(Br)cc(Br)c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H10Br2N2O3/c1-17(12-2-4-13(5-3-12)18(20)21)14(19)9-6-10(15)8-11(16)7-9/h2-8H,1H3
InChIKeyUVMUCQBSGIIOFR-UHFFFAOYSA-N
XLogP4.40
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.05
LogP ≤ 54.40
H-Bond Donors ≤ 50
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

2,6-dichloro-N-methyl-N-(4-nitrophenyl)pyridine-4-carboxamide
CID 43090842
5-bromo-2-iodo-N-methyl-N-(4-nitrophenyl)benzamide
CID 103606995
3-bromo-N-methyl-N-(4-nitrophenyl)thiophene-2-carboxamide
CID 60778208
methyl 4-[methyl-[4-[methyl-[4-[methyl-(4-nitrobenzoyl)amino]benzoyl]amino]benzoyl]amino]benzoate
CID 132533381
3-bromo-N,5-dimethyl-N-(4-methylphenyl)benzamide
CID 113460748
N-(4-cyanophenyl)-N-methyl-3-nitrobenzamide
CID 62983456
N-(4-bromophenyl)-N-methyl-4-nitroaniline
CID 134433384
1-(3,5-dibromophenyl)-2-(4-nitrophenyl)ethanone
CID 107980624
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 4-nitrobenzoate
CID 33186021
3,5-dibromo-N-[(4-nitrophenyl)methyl]benzamide
CID 107980090
5-bromo-N-methyl-N-(4-nitrophenyl)pentanamide
CID 107907357
5-chloro-2-hydroxy-N-methyl-N-(4-nitrophenyl)benzamide
CID 141401921

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-methyl-N-(4-nitrophenyl)benzamide?
The IUPAC name of 3,5-dibromo-N-methyl-N-(4-nitrophenyl)benzamide (CID 103910103) is 3,5-dibromo-N-methyl-N-(4-nitrophenyl)benzamide.
What is the SMILES notation for 3,5-dibromo-N-methyl-N-(4-nitrophenyl)benzamide?
The canonical SMILES for 3,5-dibromo-N-methyl-N-(4-nitrophenyl)benzamide is CN(C(=O)c1cc(Br)cc(Br)c1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 3,5-dibromo-N-methyl-N-(4-nitrophenyl)benzamide?
The InChIKey is UVMUCQBSGIIOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2N2O3/c1-17(12-2-4-13(5-3-12)18(20)21)14(19)9-6-10(15)8-11(16)7-9/h2-8H,1H3.
What are the key properties of 3,5-dibromo-N-methyl-N-(4-nitrophenyl)benzamide?
3,5-dibromo-N-methyl-N-(4-nitrophenyl)benzamide has a molecular weight of 414.05 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-methyl-N-(4-nitrophenyl)benzamide is sourced from PubChem (CID 103910103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).