(E)-3-(4-chlorophenyl)-N-(3-nitrophenyl)prop-2-enamide

C15H11ClN2O3 — CID 872075

IUPAC(E)-3-(4-chlorophenyl)-N-(3-nitrophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H11ClN2O3/c16-12-7-4-11(5-8-12)6-9-15(19)17-13-2-1-3-14(10-13)18(20)21/h1-10H,(H,17,19)/b9-6+
InChIKeyCOBZPCIJYVLZEU-RMKNXTFCSA-N
MW302.72 g/mol
LogP3.90
Rot. Bonds4

About (E)-3-(4-chlorophenyl)-N-(3-nitrophenyl)prop-2-enamide

(E)-3-(4-chlorophenyl)-N-(3-nitrophenyl)prop-2-enamide (PubChem CID 872075) has the molecular formula C15H11ClN2O3 and a molecular weight of 302.72 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-N-(3-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-N-(3-nitrophenyl)prop-2-enamide
PubChem CID872075
Molecular FormulaC15H11ClN2O3
Molecular Weight302.72 g/mol
Exact Mass302.05
IUPAC Name(E)-3-(4-chlorophenyl)-N-(3-nitrophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H11ClN2O3/c16-12-7-4-11(5-8-12)6-9-15(19)17-13-2-1-3-14(10-13)18(20)21/h1-10H,(H,17,19)/b9-6+
InChIKeyCOBZPCIJYVLZEU-RMKNXTFCSA-N
XLogP3.90
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-N-(3-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-chlorophenyl)-N-(3-nitrophenyl)prop-2-enamide (CID 872075) is (E)-3-(4-chlorophenyl)-N-(3-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-N-(3-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-chlorophenyl)-N-(3-nitrophenyl)prop-2-enamide is O=C(/C=C/c1ccc(Cl)cc1)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-N-(3-nitrophenyl)prop-2-enamide?
The InChIKey is COBZPCIJYVLZEU-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H11ClN2O3/c16-12-7-4-11(5-8-12)6-9-15(19)17-13-2-1-3-14(10-13)18(20)21/h1-10H,(H,17,19)/b9-6+.
What are the key properties of (E)-3-(4-chlorophenyl)-N-(3-nitrophenyl)prop-2-enamide?
(E)-3-(4-chlorophenyl)-N-(3-nitrophenyl)prop-2-enamide has a molecular weight of 302.72 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-N-(3-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 872075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).