(Z)-N-(2-chlorophenyl)-2-cyano-3-(2,3,4-trifluoroanilino)prop-2-enamide

C16H9ClF3N3O — CID 108824561

IUPAC(Z)-N-(2-chlorophenyl)-2-cyano-3-(2,3,4-trifluoroanilino)prop-2-enamide
SMILESN#C/C(=C/Nc1ccc(F)c(F)c1F)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C16H9ClF3N3O/c17-10-3-1-2-4-12(10)23-16(24)9(7-21)8-22-13-6-5-11(18)14(19)15(13)20/h1-6,8,22H,(H,23,24)/b9-8-
InChIKeyYAKUZJMVJKFCIS-HJWRWDBZSA-N
MW351.72 g/mol
LogP4.22
Rot. Bonds4

About (Z)-N-(2-chlorophenyl)-2-cyano-3-(2,3,4-trifluoroanilino)prop-2-enamide

(Z)-N-(2-chlorophenyl)-2-cyano-3-(2,3,4-trifluoroanilino)prop-2-enamide (PubChem CID 108824561) has the molecular formula C16H9ClF3N3O and a molecular weight of 351.72 g/mol. Its IUPAC name is (Z)-N-(2-chlorophenyl)-2-cyano-3-(2,3,4-trifluoroanilino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(2-chlorophenyl)-2-cyano-3-(2,3,4-trifluoroanilino)prop-2-enamide
PubChem CID108824561
Molecular FormulaC16H9ClF3N3O
Molecular Weight351.72 g/mol
Exact Mass351.04
IUPAC Name(Z)-N-(2-chlorophenyl)-2-cyano-3-(2,3,4-trifluoroanilino)prop-2-enamide
SMILESN#C/C(=C/Nc1ccc(F)c(F)c1F)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C16H9ClF3N3O/c17-10-3-1-2-4-12(10)23-16(24)9(7-21)8-22-13-6-5-11(18)14(19)15(13)20/h1-6,8,22H,(H,23,24)/b9-8-
InChIKeyYAKUZJMVJKFCIS-HJWRWDBZSA-N
XLogP4.22
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.72
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[[(Z)-3-(2-chloroanilino)-2-cyano-3-oxoprop-1-enyl]amino]benzamide
CID 108824482
(Z)-N-(2-chlorophenyl)-2-cyano-3-(naphthalen-1-ylamino)prop-2-enamide
CID 108824467
(Z)-N-(2-chlorophenyl)-2-cyano-3-(2-ethylanilino)prop-2-enamide
CID 108824495
(Z)-N-(2-chlorophenyl)-2-cyano-3-[4-(trifluoromethyl)anilino]prop-2-enamide
CID 108824566
(Z)-N-(2-chlorophenyl)-2-cyano-3-(2,4-dimethylanilino)prop-2-enamide
CID 108824365
(Z)-2-cyano-3-(2,5-dichloroanilino)-N-(2-hydroxyphenyl)prop-2-enamide
CID 108855126
(Z)-2-cyano-N-propan-2-yl-3-(2,3,4-trifluoroanilino)prop-2-enamide
CID 108829770
(Z)-2-cyano-N-(2,4-dichlorophenyl)-3-(2-ethylanilino)prop-2-enamide
CID 108828959
(Z)-2-cyano-N-(2,5-dichlorophenyl)-3-(2-methylanilino)prop-2-enamide
CID 108825385
(Z)-N-tert-butyl-2-cyano-3-(2,3,4-trifluoroanilino)prop-2-enamide
CID 108837944
(Z)-N-(2-chlorophenyl)-2-cyano-3-[4-(diethylamino)-2-methylanilino]prop-2-enamide chloride
CID 108824542
(Z)-3-(2-chloroanilino)-N-(3-chlorophenyl)-2-cyanoprop-2-enamide
CID 46920704

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2-chlorophenyl)-2-cyano-3-(2,3,4-trifluoroanilino)prop-2-enamide?
The IUPAC name of (Z)-N-(2-chlorophenyl)-2-cyano-3-(2,3,4-trifluoroanilino)prop-2-enamide (CID 108824561) is (Z)-N-(2-chlorophenyl)-2-cyano-3-(2,3,4-trifluoroanilino)prop-2-enamide.
What is the SMILES notation for (Z)-N-(2-chlorophenyl)-2-cyano-3-(2,3,4-trifluoroanilino)prop-2-enamide?
The canonical SMILES for (Z)-N-(2-chlorophenyl)-2-cyano-3-(2,3,4-trifluoroanilino)prop-2-enamide is N#C/C(=C/Nc1ccc(F)c(F)c1F)C(=O)Nc1ccccc1Cl.
What is the InChIKey of (Z)-N-(2-chlorophenyl)-2-cyano-3-(2,3,4-trifluoroanilino)prop-2-enamide?
The InChIKey is YAKUZJMVJKFCIS-HJWRWDBZSA-N. The full InChI is InChI=1S/C16H9ClF3N3O/c17-10-3-1-2-4-12(10)23-16(24)9(7-21)8-22-13-6-5-11(18)14(19)15(13)20/h1-6,8,22H,(H,23,24)/b9-8-.
What are the key properties of (Z)-N-(2-chlorophenyl)-2-cyano-3-(2,3,4-trifluoroanilino)prop-2-enamide?
(Z)-N-(2-chlorophenyl)-2-cyano-3-(2,3,4-trifluoroanilino)prop-2-enamide has a molecular weight of 351.72 g/mol, XLogP of 4.22, 4 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-(2,3,4-trifluoroanilino)prop-2-enamide is sourced from PubChem (CID 108824561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).