3-bromo-N-cyclopropyl-5-nitrobenzamide

C10H9BrN2O3 — CID 26369865

IUPAC3-bromo-N-cyclopropyl-5-nitrobenzamide
SMILESO=C(NC1CC1)c1cc(Br)cc([N+](=O)[O-])c1
InChIInChI=1S/C10H9BrN2O3/c11-7-3-6(4-9(5-7)13(15)16)10(14)12-8-1-2-8/h3-5,8H,1-2H2,(H,12,14)
InChIKeyUUXXLHHAEOPFQK-UHFFFAOYSA-N
MW285.10 g/mol
LogP2.25
Rot. Bonds3

About 3-bromo-N-cyclopropyl-5-nitrobenzamide

3-bromo-N-cyclopropyl-5-nitrobenzamide (PubChem CID 26369865) has the molecular formula C10H9BrN2O3 and a molecular weight of 285.10 g/mol. Its IUPAC name is 3-bromo-N-cyclopropyl-5-nitrobenzamide.

Molecular Properties

Compound Name3-bromo-N-cyclopropyl-5-nitrobenzamide
PubChem CID26369865
Molecular FormulaC10H9BrN2O3
Molecular Weight285.10 g/mol
Exact Mass283.98
IUPAC Name3-bromo-N-cyclopropyl-5-nitrobenzamide
SMILESO=C(NC1CC1)c1cc(Br)cc([N+](=O)[O-])c1
InChIInChI=1S/C10H9BrN2O3/c11-7-3-6(4-9(5-7)13(15)16)10(14)12-8-1-2-8/h3-5,8H,1-2H2,(H,12,14)
InChIKeyUUXXLHHAEOPFQK-UHFFFAOYSA-N
XLogP2.25
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.10
LogP ≤ 52.25
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-(cyclopropylcarbamoyl)-5-nitrobenzoic acid
CID 69078594
N-cyclooctyl-3,5-dinitrobenzamide
CID 4130171
1-N,3-N-dicyclopentyl-5-nitrobenzene-1,3-dicarboxamide
CID 4058305
3-chloro-N-(4-chlorocyclohexyl)-5-nitrobenzamide
CID 114297283
N-(4-aminocyclohexyl)-3-fluoro-5-nitrobenzamide
CID 81478632
N-(4-aminocyclohexyl)-3-fluoro-5-nitrobenzamide;hydrochloride
CID 119476689
3-bromo-5-chloro-N-cyclopropylbenzamide
CID 110406468
3,5-dibromo-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 107980263
N-(1,1-dioxothiolan-3-yl)-3,5-dinitrobenzamide
CID 5182225
ethyl 3-[(4-ethylcyclohexyl)carbamoyl]-5-nitrobenzoate
CID 112816351
ethyl 3-(cyclohexylcarbamoyl)-5-nitrobenzoate
CID 43002742
N-cyclobutyl-3-nitro-5-sulfamoylbenzamide
CID 65388072

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cyclopropyl-5-nitrobenzamide?
The IUPAC name of 3-bromo-N-cyclopropyl-5-nitrobenzamide (CID 26369865) is 3-bromo-N-cyclopropyl-5-nitrobenzamide.
What is the SMILES notation for 3-bromo-N-cyclopropyl-5-nitrobenzamide?
The canonical SMILES for 3-bromo-N-cyclopropyl-5-nitrobenzamide is O=C(NC1CC1)c1cc(Br)cc([N+](=O)[O-])c1.
What is the InChIKey of 3-bromo-N-cyclopropyl-5-nitrobenzamide?
The InChIKey is UUXXLHHAEOPFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O3/c11-7-3-6(4-9(5-7)13(15)16)10(14)12-8-1-2-8/h3-5,8H,1-2H2,(H,12,14).
What are the key properties of 3-bromo-N-cyclopropyl-5-nitrobenzamide?
3-bromo-N-cyclopropyl-5-nitrobenzamide has a molecular weight of 285.10 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-cyclopropyl-5-nitrobenzamide is sourced from PubChem (CID 26369865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).