(Z)-2-cyano-N-(2,4-dichlorophenyl)-3-(2-ethylanilino)prop-2-enamide

C18H15Cl2N3O — CID 108828959

IUPAC(Z)-2-cyano-N-(2,4-dichlorophenyl)-3-(2-ethylanilino)prop-2-enamide
SMILESCCc1ccccc1N/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H15Cl2N3O/c1-2-12-5-3-4-6-16(12)22-11-13(10-21)18(24)23-17-8-7-14(19)9-15(17)20/h3-9,11,22H,2H2,1H3,(H,23,24)/b13-11-
InChIKeyCPXDQMFYGSZVLC-QBFSEMIESA-N
MW360.24 g/mol
LogP5.01
Rot. Bonds5

About (Z)-2-cyano-N-(2,4-dichlorophenyl)-3-(2-ethylanilino)prop-2-enamide

(Z)-2-cyano-N-(2,4-dichlorophenyl)-3-(2-ethylanilino)prop-2-enamide (PubChem CID 108828959) has the molecular formula C18H15Cl2N3O and a molecular weight of 360.24 g/mol. Its IUPAC name is (Z)-2-cyano-N-(2,4-dichlorophenyl)-3-(2-ethylanilino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(2,4-dichlorophenyl)-3-(2-ethylanilino)prop-2-enamide
PubChem CID108828959
Molecular FormulaC18H15Cl2N3O
Molecular Weight360.24 g/mol
Exact Mass359.06
IUPAC Name(Z)-2-cyano-N-(2,4-dichlorophenyl)-3-(2-ethylanilino)prop-2-enamide
SMILESCCc1ccccc1N/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H15Cl2N3O/c1-2-12-5-3-4-6-16(12)22-11-13(10-21)18(24)23-17-8-7-14(19)9-15(17)20/h3-9,11,22H,2H2,1H3,(H,23,24)/b13-11-
InChIKeyCPXDQMFYGSZVLC-QBFSEMIESA-N
XLogP5.01
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.24
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-(2-chlorophenyl)-2-cyano-3-(2-ethylanilino)prop-2-enamide
CID 108824495
(Z)-2-cyano-3-(2-ethylanilino)-N-(4-iodo-2-methylphenyl)prop-2-enamide
CID 108860189
(Z)-2-cyano-N-(2,4-dichlorophenyl)-3-[4-(diethylamino)-2-methylanilino]prop-2-enamide chloride
CID 108829006
(Z)-N-[(4-chlorophenyl)methyl]-2-cyano-3-(2-ethylanilino)prop-2-enamide
CID 108839743
(Z)-2-cyano-N-(2,4-dichlorophenyl)-3-[4-(diethylamino)anilino]prop-2-enamide
CID 108828963
(Z)-2-cyano-N-(2,4-dichlorophenyl)-3-(pyrimidin-2-ylamino)prop-2-enamide
CID 108828865
(Z)-2-cyano-N-(2,5-dichlorophenyl)-3-(2-methylanilino)prop-2-enamide
CID 108825385
2-[[(Z)-2-cyano-3-(2,4-dichloroanilino)-3-oxoprop-1-enyl]amino]acetic acid
CID 108828792
(Z)-2-cyano-3-(2,5-dichloroanilino)-N-(2-hydroxyphenyl)prop-2-enamide
CID 108855126
(Z)-N-(4-amino-2-chlorophenyl)-2-cyano-3-(2-methylanilino)prop-2-enamide
CID 108859233
(Z)-2-cyano-N-(2,4-dichlorophenyl)-3-(4-propan-2-ylanilino)prop-2-enamide
CID 108828729
(Z)-N-(2-chlorophenyl)-2-cyano-3-(2,3,4-trifluoroanilino)prop-2-enamide
CID 108824561

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(2,4-dichlorophenyl)-3-(2-ethylanilino)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(2,4-dichlorophenyl)-3-(2-ethylanilino)prop-2-enamide (CID 108828959) is (Z)-2-cyano-N-(2,4-dichlorophenyl)-3-(2-ethylanilino)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(2,4-dichlorophenyl)-3-(2-ethylanilino)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(2,4-dichlorophenyl)-3-(2-ethylanilino)prop-2-enamide is CCc1ccccc1N/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of (Z)-2-cyano-N-(2,4-dichlorophenyl)-3-(2-ethylanilino)prop-2-enamide?
The InChIKey is CPXDQMFYGSZVLC-QBFSEMIESA-N. The full InChI is InChI=1S/C18H15Cl2N3O/c1-2-12-5-3-4-6-16(12)22-11-13(10-21)18(24)23-17-8-7-14(19)9-15(17)20/h3-9,11,22H,2H2,1H3,(H,23,24)/b13-11-.
What are the key properties of (Z)-2-cyano-N-(2,4-dichlorophenyl)-3-(2-ethylanilino)prop-2-enamide?
(Z)-2-cyano-N-(2,4-dichlorophenyl)-3-(2-ethylanilino)prop-2-enamide has a molecular weight of 360.24 g/mol, XLogP of 5.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(2,4-dichlorophenyl)-3-(2-ethylanilino)prop-2-enamide is sourced from PubChem (CID 108828959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).