(Z)-N-(3-acetylphenyl)-2-cyano-3-(4-cyanoanilino)prop-2-enamide

C19H14N4O2 — CID 108856731

IUPAC(Z)-N-(3-acetylphenyl)-2-cyano-3-(4-cyanoanilino)prop-2-enamide
SMILESCC(=O)c1cccc(NC(=O)/C(C#N)=C\Nc2ccc(C#N)cc2)c1
InChIInChI=1S/C19H14N4O2/c1-13(24)15-3-2-4-18(9-15)23-19(25)16(11-21)12-22-17-7-5-14(10-20)6-8-17/h2-9,12,22H,1H3,(H,23,25)/b16-12-
InChIKeyRMHCSMHEIBBSCR-VBKFSLOCSA-N
MW330.35 g/mol
LogP3.22
Rot. Bonds5

About (Z)-N-(3-acetylphenyl)-2-cyano-3-(4-cyanoanilino)prop-2-enamide

(Z)-N-(3-acetylphenyl)-2-cyano-3-(4-cyanoanilino)prop-2-enamide (PubChem CID 108856731) has the molecular formula C19H14N4O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is (Z)-N-(3-acetylphenyl)-2-cyano-3-(4-cyanoanilino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(3-acetylphenyl)-2-cyano-3-(4-cyanoanilino)prop-2-enamide
PubChem CID108856731
Molecular FormulaC19H14N4O2
Molecular Weight330.35 g/mol
Exact Mass330.11
IUPAC Name(Z)-N-(3-acetylphenyl)-2-cyano-3-(4-cyanoanilino)prop-2-enamide
SMILESCC(=O)c1cccc(NC(=O)/C(C#N)=C\Nc2ccc(C#N)cc2)c1
InChIInChI=1S/C19H14N4O2/c1-13(24)15-3-2-4-18(9-15)23-19(25)16(11-21)12-22-17-7-5-14(10-20)6-8-17/h2-9,12,22H,1H3,(H,23,25)/b16-12-
InChIKeyRMHCSMHEIBBSCR-VBKFSLOCSA-N
XLogP3.22
TPSA105.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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)-3-(4-acetamidoanilino)-N-(3-acetylphenyl)-2-cyanoprop-2-enamide
CID 108856600
4-[[(Z)-3-(3-acetylanilino)-2-cyano-3-oxoprop-1-enyl]amino]benzamide
CID 108856838
(Z)-N-(3-acetylphenyl)-3-(4-tert-butylanilino)-2-cyanoprop-2-enamide
CID 108856828
(Z)-3-(3-acetylanilino)-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide
CID 108827344
(Z)-3-(3-acetylanilino)-2-cyano-N-(3,4-dichlorophenyl)prop-2-enamide
CID 108821752
(Z)-2-cyano-3-(4-cyanoanilino)-N-(4-methylphenyl)prop-2-enamide
CID 108817306
(Z)-3-(3-acetylanilino)-2-cyano-N-(4-phenoxyphenyl)prop-2-enamide
CID 108849625
(Z)-N-acetyl-3-(3-acetylanilino)-2-cyanoprop-2-enamide
CID 98698649
(Z)-2-cyano-3-(4-cyanoanilino)-N-(4-hydroxyphenyl)prop-2-enamide
CID 108827373
3-[[(Z)-3-(4-acetamidoanilino)-2-cyano-3-oxoprop-1-enyl]amino]benzoic acid
CID 108818291
(Z)-3-(3-acetylanilino)-N-(3-chloro-4-methoxyphenyl)-2-cyanoprop-2-enamide
CID 108825853
3-[[(Z)-2-cyano-3-(4-methoxyanilino)prop-2-enoyl]amino]benzoic acid
CID 108816083

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(3-acetylphenyl)-2-cyano-3-(4-cyanoanilino)prop-2-enamide?
The IUPAC name of (Z)-N-(3-acetylphenyl)-2-cyano-3-(4-cyanoanilino)prop-2-enamide (CID 108856731) is (Z)-N-(3-acetylphenyl)-2-cyano-3-(4-cyanoanilino)prop-2-enamide.
What is the SMILES notation for (Z)-N-(3-acetylphenyl)-2-cyano-3-(4-cyanoanilino)prop-2-enamide?
The canonical SMILES for (Z)-N-(3-acetylphenyl)-2-cyano-3-(4-cyanoanilino)prop-2-enamide is CC(=O)c1cccc(NC(=O)/C(C#N)=C\Nc2ccc(C#N)cc2)c1.
What is the InChIKey of (Z)-N-(3-acetylphenyl)-2-cyano-3-(4-cyanoanilino)prop-2-enamide?
The InChIKey is RMHCSMHEIBBSCR-VBKFSLOCSA-N. The full InChI is InChI=1S/C19H14N4O2/c1-13(24)15-3-2-4-18(9-15)23-19(25)16(11-21)12-22-17-7-5-14(10-20)6-8-17/h2-9,12,22H,1H3,(H,23,25)/b16-12-.
What are the key properties of (Z)-N-(3-acetylphenyl)-2-cyano-3-(4-cyanoanilino)prop-2-enamide?
(Z)-N-(3-acetylphenyl)-2-cyano-3-(4-cyanoanilino)prop-2-enamide has a molecular weight of 330.35 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(3-acetylphenyl)-2-cyano-3-(4-cyanoanilino)prop-2-enamide is sourced from PubChem (CID 108856731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).