(Z)-N-(2-chlorophenyl)-2-cyano-3-(2-ethylanilino)prop-2-enamide

C18H16ClN3O — CID 108824495

IUPAC(Z)-N-(2-chlorophenyl)-2-cyano-3-(2-ethylanilino)prop-2-enamide
SMILESCCc1ccccc1N/C=C(/C#N)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C18H16ClN3O/c1-2-13-7-3-5-9-16(13)21-12-14(11-20)18(23)22-17-10-6-4-8-15(17)19/h3-10,12,21H,2H2,1H3,(H,22,23)/b14-12-
InChIKeyVCFRKNTVOYLTEY-OWBHPGMISA-N
MW325.80 g/mol
LogP4.36
Rot. Bonds5

About (Z)-N-(2-chlorophenyl)-2-cyano-3-(2-ethylanilino)prop-2-enamide

(Z)-N-(2-chlorophenyl)-2-cyano-3-(2-ethylanilino)prop-2-enamide (PubChem CID 108824495) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is (Z)-N-(2-chlorophenyl)-2-cyano-3-(2-ethylanilino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(2-chlorophenyl)-2-cyano-3-(2-ethylanilino)prop-2-enamide
PubChem CID108824495
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC Name(Z)-N-(2-chlorophenyl)-2-cyano-3-(2-ethylanilino)prop-2-enamide
SMILESCCc1ccccc1N/C=C(/C#N)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C18H16ClN3O/c1-2-13-7-3-5-9-16(13)21-12-14(11-20)18(23)22-17-10-6-4-8-15(17)19/h3-10,12,21H,2H2,1H3,(H,22,23)/b14-12-
InChIKeyVCFRKNTVOYLTEY-OWBHPGMISA-N
XLogP4.36
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.36
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)-2-cyano-N-(2,4-dichlorophenyl)-3-(2-ethylanilino)prop-2-enamide
CID 108828959
(Z)-N-(2-chlorophenyl)-2-cyano-3-(naphthalen-1-ylamino)prop-2-enamide
CID 108824467
2-[[(Z)-3-(2-chloroanilino)-2-cyano-3-oxoprop-1-enyl]amino]benzamide
CID 108824482
(Z)-N-benzhydryl-2-cyano-3-(2-ethylanilino)prop-2-enamide
CID 108840489
(Z)-N-(2-chlorophenyl)-2-cyano-3-(2,4-dimethylanilino)prop-2-enamide
CID 108824365
(Z)-2-cyano-3-(2-ethylanilino)-N-propylprop-2-enamide
CID 108820394
(Z)-N-tert-butyl-2-cyano-3-(2-ethylanilino)prop-2-enamide
CID 108837878
(Z)-2-cyano-3-(2-ethylanilino)-N-(4-iodo-2-methylphenyl)prop-2-enamide
CID 108860189
(Z)-N-(2-chlorophenyl)-2-cyano-3-[4-(diethylamino)-2-methylanilino]prop-2-enamide chloride
CID 108824542
(Z)-N-[(4-chlorophenyl)methyl]-2-cyano-3-(2-ethylanilino)prop-2-enamide
CID 108839743
2-[4-[[(Z)-3-(2-chloroanilino)-2-cyano-3-oxoprop-1-enyl]amino]phenyl]acetic acid
CID 108824411
(Z)-N-(2-chlorophenyl)-2-cyano-3-(2-hydroxyethylamino)prop-2-enamide
CID 108824466

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2-chlorophenyl)-2-cyano-3-(2-ethylanilino)prop-2-enamide?
The IUPAC name of (Z)-N-(2-chlorophenyl)-2-cyano-3-(2-ethylanilino)prop-2-enamide (CID 108824495) is (Z)-N-(2-chlorophenyl)-2-cyano-3-(2-ethylanilino)prop-2-enamide.
What is the SMILES notation for (Z)-N-(2-chlorophenyl)-2-cyano-3-(2-ethylanilino)prop-2-enamide?
The canonical SMILES for (Z)-N-(2-chlorophenyl)-2-cyano-3-(2-ethylanilino)prop-2-enamide is CCc1ccccc1N/C=C(/C#N)C(=O)Nc1ccccc1Cl.
What is the InChIKey of (Z)-N-(2-chlorophenyl)-2-cyano-3-(2-ethylanilino)prop-2-enamide?
The InChIKey is VCFRKNTVOYLTEY-OWBHPGMISA-N. The full InChI is InChI=1S/C18H16ClN3O/c1-2-13-7-3-5-9-16(13)21-12-14(11-20)18(23)22-17-10-6-4-8-15(17)19/h3-10,12,21H,2H2,1H3,(H,22,23)/b14-12-.
What are the key properties of (Z)-N-(2-chlorophenyl)-2-cyano-3-(2-ethylanilino)prop-2-enamide?
(Z)-N-(2-chlorophenyl)-2-cyano-3-(2-ethylanilino)prop-2-enamide has a molecular weight of 325.80 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2-chlorophenyl)-2-cyano-3-(2-ethylanilino)prop-2-enamide is sourced from PubChem (CID 108824495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).