2,3-bis(4-nitrophenyl)prop-2-enamide

C15H11N3O5 — CID 141151082

IUPAC2,3-bis(4-nitrophenyl)prop-2-enamide
SMILESNC(=O)C(=Cc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H11N3O5/c16-15(19)14(11-3-7-13(8-4-11)18(22)23)9-10-1-5-12(6-2-10)17(20)21/h1-9H,(H2,16,19)
InChIKeyOIZVYRCRVWYQNF-UHFFFAOYSA-N
MW313.27 g/mol
LogP2.53
Rot. Bonds5

About 2,3-bis(4-nitrophenyl)prop-2-enamide

2,3-bis(4-nitrophenyl)prop-2-enamide (PubChem CID 141151082) has the molecular formula C15H11N3O5 and a molecular weight of 313.27 g/mol. Its IUPAC name is 2,3-bis(4-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name2,3-bis(4-nitrophenyl)prop-2-enamide
PubChem CID141151082
Molecular FormulaC15H11N3O5
Molecular Weight313.27 g/mol
Exact Mass313.07
IUPAC Name2,3-bis(4-nitrophenyl)prop-2-enamide
SMILESNC(=O)C(=Cc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H11N3O5/c16-15(19)14(11-3-7-13(8-4-11)18(22)23)9-10-1-5-12(6-2-10)17(20)21/h1-9H,(H2,16,19)
InChIKeyOIZVYRCRVWYQNF-UHFFFAOYSA-N
XLogP2.53
TPSA129.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(3-nitrophenyl)-2-(4-nitrophenyl)prop-2-enamide
CID 5373272
3-(4-chlorophenyl)-2-(4-nitrophenyl)prop-2-enoic acid
CID 5185595
(E)-2-cyano-3-(4-nitrophenyl)prop-2-enamide
CID 736695
(Z)-4-amino-2-(4-nitrophenyl)-4-oxobut-2-enoic acid
CID 19910829
(E)-2-(4-nitrophenyl)-1-phenylhept-1-en-3-one
CID 138971441
(Z)-2,3-diphenylprop-2-enamide
CID 6016357
(Z)-3-(4-nitrophenyl)-2-sulfanylprop-2-enoic acid
CID 66488736
2-[1-carboxy-2-(4-nitrophenyl)ethenyl]benzoic acid
CID 2752885
2-[1-carboxylato-2-(4-nitrophenyl)ethenyl]benzoate
CID 7055738
(E)-4-(dimethylamino)-3-(4-nitrophenyl)but-3-en-2-one
CID 122509352
dimethyl-[2-[(Z)-2-(4-nitrophenyl)-3-phenylprop-2-enoyl]oxyethyl]azanium chloride
CID 6536684
2-(dimethylamino)ethyl (Z)-3-(4-nitrophenyl)-2-phenylprop-2-enoate
CID 6857977

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-nitrophenyl)prop-2-enamide?
The IUPAC name of 2,3-bis(4-nitrophenyl)prop-2-enamide (CID 141151082) is 2,3-bis(4-nitrophenyl)prop-2-enamide.
What is the SMILES notation for 2,3-bis(4-nitrophenyl)prop-2-enamide?
The canonical SMILES for 2,3-bis(4-nitrophenyl)prop-2-enamide is NC(=O)C(=Cc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2,3-bis(4-nitrophenyl)prop-2-enamide?
The InChIKey is OIZVYRCRVWYQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O5/c16-15(19)14(11-3-7-13(8-4-11)18(22)23)9-10-1-5-12(6-2-10)17(20)21/h1-9H,(H2,16,19).
What are the key properties of 2,3-bis(4-nitrophenyl)prop-2-enamide?
2,3-bis(4-nitrophenyl)prop-2-enamide has a molecular weight of 313.27 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 141151082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).