2-[2-chloro-4-[(Z)-2-cyano-2-(4-nitrophenyl)ethenyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide

C24H17Cl2N3O4 — CID 126257728

IUPAC2-[2-chloro-4-[(Z)-2-cyano-2-(4-nitrophenyl)ethenyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2Cl)cc1Cl
InChIInChI=1S/C24H17Cl2N3O4/c1-15-2-6-19(12-21(15)25)28-24(30)14-33-23-9-3-16(11-22(23)26)10-18(13-27)17-4-7-20(8-5-17)29(31)32/h2-12H,14H2,1H3,(H,28,30)/b18-10+
InChIKeyAFEWGOAPGCRTAV-VCHYOVAHSA-N
MW482.32 g/mol
LogP6.29
Rot. Bonds7

About 2-[2-chloro-4-[(Z)-2-cyano-2-(4-nitrophenyl)ethenyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide

2-[2-chloro-4-[(Z)-2-cyano-2-(4-nitrophenyl)ethenyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide (PubChem CID 126257728) has the molecular formula C24H17Cl2N3O4 and a molecular weight of 482.32 g/mol. Its IUPAC name is 2-[2-chloro-4-[(Z)-2-cyano-2-(4-nitrophenyl)ethenyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-[(Z)-2-cyano-2-(4-nitrophenyl)ethenyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
PubChem CID126257728
Molecular FormulaC24H17Cl2N3O4
Molecular Weight482.32 g/mol
Exact Mass481.06
IUPAC Name2-[2-chloro-4-[(Z)-2-cyano-2-(4-nitrophenyl)ethenyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2Cl)cc1Cl
InChIInChI=1S/C24H17Cl2N3O4/c1-15-2-6-19(12-21(15)25)28-24(30)14-33-23-9-3-16(11-22(23)26)10-18(13-27)17-4-7-20(8-5-17)29(31)32/h2-12H,14H2,1H3,(H,28,30)/b18-10+
InChIKeyAFEWGOAPGCRTAV-VCHYOVAHSA-N
XLogP6.29
TPSA105.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.32
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-[3-[(Z)-2-cyano-2-(4-nitrophenyl)ethenyl]phenoxy]acetamide
CID 1295866
2-[2-chloro-4-[(E)-2-cyano-2-(3-nitrophenyl)ethenyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 124549917
2-[2-bromo-4-[(E)-2-cyano-2-(4-nitrophenyl)ethenyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 2201325
(Z)-3-[3-chloro-4-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]-2-cyano-N-(3-nitrophenyl)prop-2-enamide
CID 126274502
(E)-3-[3-chloro-4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]phenyl]-2-cyano-N-(4-fluorophenyl)prop-2-enamide
CID 126266111
(E)-3-[3-chloro-4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]phenyl]-2-cyano-N-(2,4-dimethylphenyl)prop-2-enamide
CID 126266266
methyl 2-[2-bromo-4-[(Z)-2-cyano-2-(4-nitrophenyl)ethenyl]phenoxy]acetate
CID 1292025
N-(4-chlorophenyl)-2-[2-[(Z)-2-cyano-2-(4-nitrophenyl)ethenyl]phenoxy]acetamide
CID 126277370
(Z)-2-cyano-3-[3,5-dichloro-4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]phenyl]-N-(3-nitrophenyl)prop-2-enamide
CID 126272541
(Z)-3-[5-chloro-2-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]phenyl]-2-cyano-N-(3-nitrophenyl)prop-2-enamide
CID 126267558
N-(4-bromo-3-methylphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide
CID 2513315
N-[(E)-[3-chloro-4-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-4-nitrobenzamide
CID 126267673

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[(Z)-2-cyano-2-(4-nitrophenyl)ethenyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide?
The IUPAC name of 2-[2-chloro-4-[(Z)-2-cyano-2-(4-nitrophenyl)ethenyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide (CID 126257728) is 2-[2-chloro-4-[(Z)-2-cyano-2-(4-nitrophenyl)ethenyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-chloro-4-[(Z)-2-cyano-2-(4-nitrophenyl)ethenyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide?
The canonical SMILES for 2-[2-chloro-4-[(Z)-2-cyano-2-(4-nitrophenyl)ethenyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2Cl)cc1Cl.
What is the InChIKey of 2-[2-chloro-4-[(Z)-2-cyano-2-(4-nitrophenyl)ethenyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide?
The InChIKey is AFEWGOAPGCRTAV-VCHYOVAHSA-N. The full InChI is InChI=1S/C24H17Cl2N3O4/c1-15-2-6-19(12-21(15)25)28-24(30)14-33-23-9-3-16(11-22(23)26)10-18(13-27)17-4-7-20(8-5-17)29(31)32/h2-12H,14H2,1H3,(H,28,30)/b18-10+.
What are the key properties of 2-[2-chloro-4-[(Z)-2-cyano-2-(4-nitrophenyl)ethenyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide?
2-[2-chloro-4-[(Z)-2-cyano-2-(4-nitrophenyl)ethenyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide has a molecular weight of 482.32 g/mol, XLogP of 6.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[(Z)-2-cyano-2-(4-nitrophenyl)ethenyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide is sourced from PubChem (CID 126257728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).