2-nitro-N-phenyl-N-prop-2-enylbenzamide

C16H14N2O3 — CID 11482940

IUPAC2-nitro-N-phenyl-N-prop-2-enylbenzamide
SMILESC=CCN(C(=O)c1ccccc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C16H14N2O3/c1-2-12-17(13-8-4-3-5-9-13)16(19)14-10-6-7-11-15(14)18(20)21/h2-11H,1,12H2
InChIKeyVPUCCCOVHLQYRT-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.43
Rot. Bonds5

About 2-nitro-N-phenyl-N-prop-2-enylbenzamide

2-nitro-N-phenyl-N-prop-2-enylbenzamide (PubChem CID 11482940) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-nitro-N-phenyl-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-nitro-N-phenyl-N-prop-2-enylbenzamide
PubChem CID11482940
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name2-nitro-N-phenyl-N-prop-2-enylbenzamide
SMILESC=CCN(C(=O)c1ccccc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C16H14N2O3/c1-2-12-17(13-8-4-3-5-9-13)16(19)14-10-6-7-11-15(14)18(20)21/h2-11H,1,12H2
InChIKeyVPUCCCOVHLQYRT-UHFFFAOYSA-N
XLogP3.43
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-nitrophenoxy)-N-phenyl-N-prop-2-enylacetamide
CID 78812401
2-nitro-N-phenyl-N-prop-2-enylaniline
CID 10967040
2-hydroxy-3-nitro-N,N-bis(prop-2-enyl)benzamide
CID 103800385
3-(4-nitrophenyl)-1-phenyl-1-prop-2-enylurea
CID 177420142
benzene;2-nitrobenzoic acid
CID 19891435
3-(2-nitro-N-prop-2-enylanilino)propanoic acid
CID 121010017
2,2,2-trichloro-N-phenyl-N-prop-2-enylacetamide
CID 10901943
2-chloro-5-methylsulfanyl-N-phenyl-N-prop-2-enylbenzamide
CID 38113942
but-3-enyl 2-nitrobenzoate
CID 118039661
3-(benzenecarbonothioyl)-1-phenyl-1-prop-2-enylurea
CID 2958860
1,2-bis(2-nitrophenyl)ethane-1,2-dione
CID 15851155
2-bromo-3-nitro-N-propan-2-yl-N-prop-2-enylbenzamide
CID 113367106

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-phenyl-N-prop-2-enylbenzamide?
The IUPAC name of 2-nitro-N-phenyl-N-prop-2-enylbenzamide (CID 11482940) is 2-nitro-N-phenyl-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-nitro-N-phenyl-N-prop-2-enylbenzamide?
The canonical SMILES for 2-nitro-N-phenyl-N-prop-2-enylbenzamide is C=CCN(C(=O)c1ccccc1[N+](=O)[O-])c1ccccc1.
What is the InChIKey of 2-nitro-N-phenyl-N-prop-2-enylbenzamide?
The InChIKey is VPUCCCOVHLQYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-2-12-17(13-8-4-3-5-9-13)16(19)14-10-6-7-11-15(14)18(20)21/h2-11H,1,12H2.
What are the key properties of 2-nitro-N-phenyl-N-prop-2-enylbenzamide?
2-nitro-N-phenyl-N-prop-2-enylbenzamide has a molecular weight of 282.30 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-phenyl-N-prop-2-enylbenzamide is sourced from PubChem (CID 11482940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).