(Z)-3-anilino-2-cyano-N-(4-fluorophenyl)prop-2-enamide

C16H12FN3O — CID 108851908

IUPAC(Z)-3-anilino-2-cyano-N-(4-fluorophenyl)prop-2-enamide
SMILESN#C/C(=C/Nc1ccccc1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H12FN3O/c17-13-6-8-15(9-7-13)20-16(21)12(10-18)11-19-14-4-2-1-3-5-14/h1-9,11,19H,(H,20,21)/b12-11-
InChIKeyIYFMDHWWRHWYTM-QXMHVHEDSA-N
MW281.29 g/mol
LogP3.28
Rot. Bonds4

About (Z)-3-anilino-2-cyano-N-(4-fluorophenyl)prop-2-enamide

(Z)-3-anilino-2-cyano-N-(4-fluorophenyl)prop-2-enamide (PubChem CID 108851908) has the molecular formula C16H12FN3O and a molecular weight of 281.29 g/mol. Its IUPAC name is (Z)-3-anilino-2-cyano-N-(4-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-anilino-2-cyano-N-(4-fluorophenyl)prop-2-enamide
PubChem CID108851908
Molecular FormulaC16H12FN3O
Molecular Weight281.29 g/mol
Exact Mass281.10
IUPAC Name(Z)-3-anilino-2-cyano-N-(4-fluorophenyl)prop-2-enamide
SMILESN#C/C(=C/Nc1ccccc1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H12FN3O/c17-13-6-8-15(9-7-13)20-16(21)12(10-18)11-19-14-4-2-1-3-5-14/h1-9,11,19H,(H,20,21)/b12-11-
InChIKeyIYFMDHWWRHWYTM-QXMHVHEDSA-N
XLogP3.28
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 53.28
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

4-[[(Z)-2-cyano-3-(4-fluoroanilino)prop-2-enoyl]amino]benzoic acid
CID 108823231
4-[[(Z)-3-(4-anilinoanilino)-2-cyanoprop-2-enoyl]amino]benzoic acid
CID 108823324
(Z)-2-cyano-3-(4-phenoxyanilino)-N-(4-phenoxyphenyl)prop-2-enamide
CID 108849606
(Z)-2-cyano-3-(4-fluoroanilino)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 108841821
(E)-3-(2-bromo-4-fluoroanilino)-2-cyano-N-phenylprop-2-enamide
CID 46920660
(Z)-2-cyano-N-(4-fluorophenyl)-3-(2-propan-2-ylanilino)prop-2-enamide
CID 108851777
(Z)-2-cyano-3-(2,4-difluoroanilino)-N-(4-fluorophenyl)prop-2-enamide
CID 108852059
(Z)-2-cyano-3-(3-fluoroanilino)-N-(4-phenoxyphenyl)prop-2-enamide
CID 108849791
(Z)-3-anilino-2-cyano-N-(3-hydroxyphenyl)prop-2-enamide
CID 108816953
(2E,4E)-2-cyano-N-(4-fluorophenyl)-5-phenylpenta-2,4-dienamide
CID 6106364
2-[[(Z)-2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-enyl]amino]propanoic acid
CID 108851831
(Z)-N-(4-acetamidophenyl)-2-cyano-3-(3-fluoroanilino)prop-2-enamide
CID 108818841

Frequently Asked Questions

What is the IUPAC name of (Z)-3-anilino-2-cyano-N-(4-fluorophenyl)prop-2-enamide?
The IUPAC name of (Z)-3-anilino-2-cyano-N-(4-fluorophenyl)prop-2-enamide (CID 108851908) is (Z)-3-anilino-2-cyano-N-(4-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-anilino-2-cyano-N-(4-fluorophenyl)prop-2-enamide?
The canonical SMILES for (Z)-3-anilino-2-cyano-N-(4-fluorophenyl)prop-2-enamide is N#C/C(=C/Nc1ccccc1)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of (Z)-3-anilino-2-cyano-N-(4-fluorophenyl)prop-2-enamide?
The InChIKey is IYFMDHWWRHWYTM-QXMHVHEDSA-N. The full InChI is InChI=1S/C16H12FN3O/c17-13-6-8-15(9-7-13)20-16(21)12(10-18)11-19-14-4-2-1-3-5-14/h1-9,11,19H,(H,20,21)/b12-11-.
What are the key properties of (Z)-3-anilino-2-cyano-N-(4-fluorophenyl)prop-2-enamide?
(Z)-3-anilino-2-cyano-N-(4-fluorophenyl)prop-2-enamide has a molecular weight of 281.29 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-anilino-2-cyano-N-(4-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 108851908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).