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

C15H11ClN2O3 — CID 875691

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

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

(E)-N-(3-chlorophenyl)-3-(4-nitrophenyl)prop-2-enamide (PubChem CID 875691) has the molecular formula C15H11ClN2O3 and a molecular weight of 302.72 g/mol. Its IUPAC name is (E)-N-(3-chlorophenyl)-3-(4-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-chlorophenyl)-3-(4-nitrophenyl)prop-2-enamide
PubChem CID875691
Molecular FormulaC15H11ClN2O3
Molecular Weight302.72 g/mol
Exact Mass302.05
IUPAC Name(E)-N-(3-chlorophenyl)-3-(4-nitrophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)c1
InChIInChI=1S/C15H11ClN2O3/c16-12-2-1-3-13(10-12)17-15(19)9-6-11-4-7-14(8-5-11)18(20)21/h1-10H,(H,17,19)/b9-6+
InChIKeyYNGKMXYQOOLMRW-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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Related Compounds

N-(3-chlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 677889
2-methyl-N-[3-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]phenyl]propanamide
CID 17189316
(E)-N-[3-(methylcarbamoylamino)phenyl]-3-(4-nitrophenyl)prop-2-enamide
CID 36824512
(E)-N,3-bis(4-nitrophenyl)prop-2-enamide
CID 6147286
3-(4-methylphenyl)-N-(3-nitrophenyl)prop-2-enamide
CID 759724
N-[3-(dimethylsulfamoyl)phenyl]-3-(4-nitrophenyl)prop-2-enamide
CID 3377274
(E)-N-[3-[acetyl(methyl)amino]phenyl]-3-(4-nitrophenyl)prop-2-enamide
CID 46761992
(E)-N-(4-chloro-2-nitrophenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 84550557
(Z)-N-(4-nitrophenyl)-3-phenylprop-2-enamide
CID 92909984
(E)-3-(3-nitrophenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 5374478
N-(4-chlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 692314
(E)-3-(4-amino-3-hydroxyphenyl)-N-(3-chlorophenyl)prop-2-enamide
CID 67337824

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-chlorophenyl)-3-(4-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(3-chlorophenyl)-3-(4-nitrophenyl)prop-2-enamide (CID 875691) is (E)-N-(3-chlorophenyl)-3-(4-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-chlorophenyl)-3-(4-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-chlorophenyl)-3-(4-nitrophenyl)prop-2-enamide is O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)c1.
What is the InChIKey of (E)-N-(3-chlorophenyl)-3-(4-nitrophenyl)prop-2-enamide?
The InChIKey is YNGKMXYQOOLMRW-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H11ClN2O3/c16-12-2-1-3-13(10-12)17-15(19)9-6-11-4-7-14(8-5-11)18(20)21/h1-10H,(H,17,19)/b9-6+.
What are the key properties of (E)-N-(3-chlorophenyl)-3-(4-nitrophenyl)prop-2-enamide?
(E)-N-(3-chlorophenyl)-3-(4-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)-N-(3-chlorophenyl)-3-(4-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 875691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).