(E)-2-cyano-N-(2,3-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enamide

C16H9Cl2N3O3 — CID 7790515

IUPAC(E)-2-cyano-N-(2,3-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
SMILESN#C/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C16H9Cl2N3O3/c17-13-5-2-6-14(15(13)18)20-16(22)11(9-19)7-10-3-1-4-12(8-10)21(23)24/h1-8H,(H,20,22)/b11-7+
InChIKeyGUXIEIJDAZEPFB-YRNVUSSQSA-N
MW362.17 g/mol
LogP4.45
Rot. Bonds4

About (E)-2-cyano-N-(2,3-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enamide

(E)-2-cyano-N-(2,3-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enamide (PubChem CID 7790515) has the molecular formula C16H9Cl2N3O3 and a molecular weight of 362.17 g/mol. Its IUPAC name is (E)-2-cyano-N-(2,3-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-(2,3-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
PubChem CID7790515
Molecular FormulaC16H9Cl2N3O3
Molecular Weight362.17 g/mol
Exact Mass361.00
IUPAC Name(E)-2-cyano-N-(2,3-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
SMILESN#C/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C16H9Cl2N3O3/c17-13-5-2-6-14(15(13)18)20-16(22)11(9-19)7-10-3-1-4-12(8-10)21(23)24/h1-8H,(H,20,22)/b11-7+
InChIKeyGUXIEIJDAZEPFB-YRNVUSSQSA-N
XLogP4.45
TPSA96.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.17
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'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

(Z)-2-cyano-N-(2,3-dichlorophenyl)-3-(4-hydroxy-3-nitrophenyl)prop-2-enamide
CID 19574936
(Z)-2-cyano-3-(3-nitrophenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 47005741
(Z)-2-cyano-N-(2,3-dichlorophenyl)-3-(4-nitroanilino)prop-2-enamide
CID 108825097
(Z)-2-cyano-N-(2,3-dichlorophenyl)-3-[3-ethoxy-5-iodo-4-[(3-nitrophenyl)methoxy]phenyl]prop-2-enamide
CID 124602627
(E)-3-(3-bromophenyl)-2-cyano-N-(2-fluoro-5-nitrophenyl)prop-2-enamide
CID 1128283
2-cyano-3-(2,6-dichlorophenyl)-N-(2-methoxy-4-nitrophenyl)prop-2-enamide
CID 4607662
(E)-2-cyano-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-(3-nitrophenyl)prop-2-enamide
CID 6280065
(E)-N-(2-chlorophenyl)-2-cyano-3-(5-nitrothiophen-3-yl)prop-2-enamide
CID 60512230
(Z)-2-cyano-N-(4-ethoxyphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 98535628
(Z)-N-(3-chloro-2-methylphenyl)-2-cyano-3-(4-nitroanilino)prop-2-enamide
CID 108823607
3-[3-[(2-chlorophenyl)methoxy]phenyl]-2-cyano-N-(2-methoxy-4-nitrophenyl)prop-2-enamide
CID 3400494
2-cyano-N-(2-methyl-4-nitrophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 3134887

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-(2,3-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-N-(2,3-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enamide (CID 7790515) is (E)-2-cyano-N-(2,3-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-(2,3-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-(2,3-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enamide is N#C/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of (E)-2-cyano-N-(2,3-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enamide?
The InChIKey is GUXIEIJDAZEPFB-YRNVUSSQSA-N. The full InChI is InChI=1S/C16H9Cl2N3O3/c17-13-5-2-6-14(15(13)18)20-16(22)11(9-19)7-10-3-1-4-12(8-10)21(23)24/h1-8H,(H,20,22)/b11-7+.
What are the key properties of (E)-2-cyano-N-(2,3-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enamide?
(E)-2-cyano-N-(2,3-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enamide has a molecular weight of 362.17 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-(2,3-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 7790515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).