3-bromo-N-(4-ethyl-3-nitrophenyl)benzamide

C15H13BrN2O3 — CID 34655216

IUPAC3-bromo-N-(4-ethyl-3-nitrophenyl)benzamide
SMILESCCc1ccc(NC(=O)c2cccc(Br)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H13BrN2O3/c1-2-10-6-7-13(9-14(10)18(20)21)17-15(19)11-4-3-5-12(16)8-11/h3-9H,2H2,1H3,(H,17,19)
InChIKeyWBBWGRISFWGTMM-UHFFFAOYSA-N
MW349.18 g/mol
LogP4.17
Rot. Bonds4

About 3-bromo-N-(4-ethyl-3-nitrophenyl)benzamide

3-bromo-N-(4-ethyl-3-nitrophenyl)benzamide (PubChem CID 34655216) has the molecular formula C15H13BrN2O3 and a molecular weight of 349.18 g/mol. Its IUPAC name is 3-bromo-N-(4-ethyl-3-nitrophenyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(4-ethyl-3-nitrophenyl)benzamide
PubChem CID34655216
Molecular FormulaC15H13BrN2O3
Molecular Weight349.18 g/mol
Exact Mass348.01
IUPAC Name3-bromo-N-(4-ethyl-3-nitrophenyl)benzamide
SMILESCCc1ccc(NC(=O)c2cccc(Br)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H13BrN2O3/c1-2-10-6-7-13(9-14(10)18(20)21)17-15(19)11-4-3-5-12(16)8-11/h3-9H,2H2,1H3,(H,17,19)
InChIKeyWBBWGRISFWGTMM-UHFFFAOYSA-N
XLogP4.17
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 54.17
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

4-bromo-N-(4-ethyl-3-nitrophenyl)benzamide
CID 60739029
3-[(3-bromobenzoyl)amino]-N-(4-fluoro-3-nitrophenyl)benzamide
CID 112832453
3-bromo-N-[3-[(3-bromobenzoyl)amino]-4-nitrophenyl]benzamide
CID 3611038
3-bromo-N-(4-methoxy-3,5-dinitrophenyl)benzamide
CID 17358287
3-bromo-N-[4-[(4-nitrobenzoyl)amino]phenyl]benzamide
CID 3455243
3-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-ethyl-3-nitrophenyl)benzamide
CID 30839893
4-ethyl-N-[4-(2-hydroxyethyl)phenyl]-3-nitrobenzamide
CID 111612092
3-bromo-N-(2-hydroxy-6-nitrophenyl)benzamide
CID 107681117
5-bromo-N-(4-ethyl-3-nitrophenyl)pentanamide
CID 114014780
N-(3-bromophenyl)-3-fluoro-4-methyl-5-nitrobenzamide
CID 46487800
3-bromo-N-(2,4-dimethyl-6-nitrophenyl)benzamide
CID 2940333
N-(4-ethyl-3-nitrophenyl)-5-oxo-5-phenylpentanamide
CID 108796232

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-ethyl-3-nitrophenyl)benzamide?
The IUPAC name of 3-bromo-N-(4-ethyl-3-nitrophenyl)benzamide (CID 34655216) is 3-bromo-N-(4-ethyl-3-nitrophenyl)benzamide.
What is the SMILES notation for 3-bromo-N-(4-ethyl-3-nitrophenyl)benzamide?
The canonical SMILES for 3-bromo-N-(4-ethyl-3-nitrophenyl)benzamide is CCc1ccc(NC(=O)c2cccc(Br)c2)cc1[N+](=O)[O-].
What is the InChIKey of 3-bromo-N-(4-ethyl-3-nitrophenyl)benzamide?
The InChIKey is WBBWGRISFWGTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O3/c1-2-10-6-7-13(9-14(10)18(20)21)17-15(19)11-4-3-5-12(16)8-11/h3-9H,2H2,1H3,(H,17,19).
What are the key properties of 3-bromo-N-(4-ethyl-3-nitrophenyl)benzamide?
3-bromo-N-(4-ethyl-3-nitrophenyl)benzamide has a molecular weight of 349.18 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-ethyl-3-nitrophenyl)benzamide is sourced from PubChem (CID 34655216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).