2-cyano-N-(2,6-dichlorophenyl)-5-(2-nitrophenyl)penta-2,4-dienamide

C18H11Cl2N3O3 — CID 4022232

IUPAC2-cyano-N-(2,6-dichlorophenyl)-5-(2-nitrophenyl)penta-2,4-dienamide
SMILESN#CC(=CC=Cc1ccccc1[N+](=O)[O-])C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C18H11Cl2N3O3/c19-14-8-4-9-15(20)17(14)22-18(24)13(11-21)7-3-6-12-5-1-2-10-16(12)23(25)26/h1-10H,(H,22,24)
InChIKeyPOEIDIOBXPFKSU-UHFFFAOYSA-N
MW388.21 g/mol
LogP5.00
Rot. Bonds5

About 2-cyano-N-(2,6-dichlorophenyl)-5-(2-nitrophenyl)penta-2,4-dienamide

2-cyano-N-(2,6-dichlorophenyl)-5-(2-nitrophenyl)penta-2,4-dienamide (PubChem CID 4022232) has the molecular formula C18H11Cl2N3O3 and a molecular weight of 388.21 g/mol. Its IUPAC name is 2-cyano-N-(2,6-dichlorophenyl)-5-(2-nitrophenyl)penta-2,4-dienamide.

Molecular Properties

Compound Name2-cyano-N-(2,6-dichlorophenyl)-5-(2-nitrophenyl)penta-2,4-dienamide
PubChem CID4022232
Molecular FormulaC18H11Cl2N3O3
Molecular Weight388.21 g/mol
Exact Mass387.02
IUPAC Name2-cyano-N-(2,6-dichlorophenyl)-5-(2-nitrophenyl)penta-2,4-dienamide
SMILESN#CC(=CC=Cc1ccccc1[N+](=O)[O-])C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C18H11Cl2N3O3/c19-14-8-4-9-15(20)17(14)22-18(24)13(11-21)7-3-6-12-5-1-2-10-16(12)23(25)26/h1-10H,(H,22,24)
InChIKeyPOEIDIOBXPFKSU-UHFFFAOYSA-N
XLogP5.00
TPSA96.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.21
LogP ≤ 55.00
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-cyano-N-(2-methoxyphenyl)-5-(2-nitrophenyl)penta-2,4-dienamide
CID 78784337
(2E,4E)-2-cyano-N-(furan-2-ylmethyl)-5-(2-nitrophenyl)penta-2,4-dienamide
CID 2688555
2-cyano-N-(2,6-dimethylphenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 78649930
(Z)-N-(3-chlorophenyl)-2-cyano-3-(2-nitrophenyl)prop-2-enamide
CID 119056356
(E)-N-(3-chloro-4-fluorophenyl)-2-cyano-3-(2-nitrophenyl)prop-2-enamide
CID 7969568
(Z)-N-(3-chloro-2-methylphenyl)-2-cyano-3-(2-nitroanilino)prop-2-enamide
CID 108823509
2-cyano-N-(2,6-dichlorophenyl)-3-(2,3-difluorophenyl)prop-2-enamide
CID 72688956
3-[[2-cyano-3-(2-nitrophenyl)prop-2-enoyl]amino]benzoic acid
CID 4304323
2-[(2-chloro-6-nitrophenyl)hydrazinylidene]propanedinitrile
CID 169337431
(E)-N-(4-chloro-3-nitrophenyl)-2-cyano-3-naphthalen-1-ylprop-2-enamide
CID 6308958
(Z)-2-cyano-N-(2,6-diethylphenyl)-3-(2-nitroanilino)prop-2-enamide
CID 108849144
(E)-2-cyano-3-(2,3-dichlorophenyl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide
CID 18207497

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2,6-dichlorophenyl)-5-(2-nitrophenyl)penta-2,4-dienamide?
The IUPAC name of 2-cyano-N-(2,6-dichlorophenyl)-5-(2-nitrophenyl)penta-2,4-dienamide (CID 4022232) is 2-cyano-N-(2,6-dichlorophenyl)-5-(2-nitrophenyl)penta-2,4-dienamide.
What is the SMILES notation for 2-cyano-N-(2,6-dichlorophenyl)-5-(2-nitrophenyl)penta-2,4-dienamide?
The canonical SMILES for 2-cyano-N-(2,6-dichlorophenyl)-5-(2-nitrophenyl)penta-2,4-dienamide is N#CC(=CC=Cc1ccccc1[N+](=O)[O-])C(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 2-cyano-N-(2,6-dichlorophenyl)-5-(2-nitrophenyl)penta-2,4-dienamide?
The InChIKey is POEIDIOBXPFKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2N3O3/c19-14-8-4-9-15(20)17(14)22-18(24)13(11-21)7-3-6-12-5-1-2-10-16(12)23(25)26/h1-10H,(H,22,24).
What are the key properties of 2-cyano-N-(2,6-dichlorophenyl)-5-(2-nitrophenyl)penta-2,4-dienamide?
2-cyano-N-(2,6-dichlorophenyl)-5-(2-nitrophenyl)penta-2,4-dienamide has a molecular weight of 388.21 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2,6-dichlorophenyl)-5-(2-nitrophenyl)penta-2,4-dienamide is sourced from PubChem (CID 4022232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).