(E)-3-(3-chlorophenyl)-N-(2,4-dinitrophenyl)prop-2-enamide

C15H10ClN3O5 — CID 6060588

IUPAC(E)-3-(3-chlorophenyl)-N-(2,4-dinitrophenyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(Cl)c1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C15H10ClN3O5/c16-11-3-1-2-10(8-11)4-7-15(20)17-13-6-5-12(18(21)22)9-14(13)19(23)24/h1-9H,(H,17,20)/b7-4+
InChIKeyPHNKUAQJNFYDKX-QPJJXVBHSA-N
MW347.71 g/mol
LogP3.81
Rot. Bonds5

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

(E)-3-(3-chlorophenyl)-N-(2,4-dinitrophenyl)prop-2-enamide (PubChem CID 6060588) has the molecular formula C15H10ClN3O5 and a molecular weight of 347.71 g/mol. Its IUPAC name is (E)-3-(3-chlorophenyl)-N-(2,4-dinitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-chlorophenyl)-N-(2,4-dinitrophenyl)prop-2-enamide
PubChem CID6060588
Molecular FormulaC15H10ClN3O5
Molecular Weight347.71 g/mol
Exact Mass347.03
IUPAC Name(E)-3-(3-chlorophenyl)-N-(2,4-dinitrophenyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(Cl)c1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C15H10ClN3O5/c16-11-3-1-2-10(8-11)4-7-15(20)17-13-6-5-12(18(21)22)9-14(13)19(23)24/h1-9H,(H,17,20)/b7-4+
InChIKeyPHNKUAQJNFYDKX-QPJJXVBHSA-N
XLogP3.81
TPSA115.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.71
LogP ≤ 53.81
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'}

Analyze (E)-3-(3-chlorophenyl)-N-(2,4-dinitrophenyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-(4-chloro-2-nitrophenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 84550557
N-(2-chloro-4-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 5065196
(E)-N-(4-chloro-2-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 881540
(E)-N-(4-chloro-2-nitrophenyl)-3-(4-chlorophenyl)prop-2-enamide
CID 6293145
N-(3-chlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 677889
N-(4-methoxy-2-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 3410037
(E)-N-(5-chloro-2-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 884286
(Z)-N-(2,4-dinitrophenyl)-3-[3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]prop-2-enamide
CID 25251218
N-(2-fluoro-5-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 4632907
3-(3-chlorophenyl)-N-(4-fluoro-3-nitrophenyl)prop-2-enamide
CID 896227
(E)-N-(3-chlorophenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 875691
N-(4-chlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 692314

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-chlorophenyl)-N-(2,4-dinitrophenyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-chlorophenyl)-N-(2,4-dinitrophenyl)prop-2-enamide (CID 6060588) is (E)-3-(3-chlorophenyl)-N-(2,4-dinitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-chlorophenyl)-N-(2,4-dinitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-chlorophenyl)-N-(2,4-dinitrophenyl)prop-2-enamide is O=C(/C=C/c1cccc(Cl)c1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of (E)-3-(3-chlorophenyl)-N-(2,4-dinitrophenyl)prop-2-enamide?
The InChIKey is PHNKUAQJNFYDKX-QPJJXVBHSA-N. The full InChI is InChI=1S/C15H10ClN3O5/c16-11-3-1-2-10(8-11)4-7-15(20)17-13-6-5-12(18(21)22)9-14(13)19(23)24/h1-9H,(H,17,20)/b7-4+.
What are the key properties of (E)-3-(3-chlorophenyl)-N-(2,4-dinitrophenyl)prop-2-enamide?
(E)-3-(3-chlorophenyl)-N-(2,4-dinitrophenyl)prop-2-enamide has a molecular weight of 347.71 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-chlorophenyl)-N-(2,4-dinitrophenyl)prop-2-enamide is sourced from PubChem (CID 6060588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).