(Z)-3-anilino-2-cyano-N-(3-hydroxyphenyl)prop-2-enamide

C16H13N3O2 — CID 108816953

IUPAC(Z)-3-anilino-2-cyano-N-(3-hydroxyphenyl)prop-2-enamide
SMILESN#C/C(=C/Nc1ccccc1)C(=O)Nc1cccc(O)c1
InChIInChI=1S/C16H13N3O2/c17-10-12(11-18-13-5-2-1-3-6-13)16(21)19-14-7-4-8-15(20)9-14/h1-9,11,18,20H,(H,19,21)/b12-11-
InChIKeyITKUOIYCPKYLGX-QXMHVHEDSA-N
MW279.30 g/mol
LogP2.85
Rot. Bonds4

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

(Z)-3-anilino-2-cyano-N-(3-hydroxyphenyl)prop-2-enamide (PubChem CID 108816953) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is (Z)-3-anilino-2-cyano-N-(3-hydroxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-anilino-2-cyano-N-(3-hydroxyphenyl)prop-2-enamide
PubChem CID108816953
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name(Z)-3-anilino-2-cyano-N-(3-hydroxyphenyl)prop-2-enamide
SMILESN#C/C(=C/Nc1ccccc1)C(=O)Nc1cccc(O)c1
InChIInChI=1S/C16H13N3O2/c17-10-12(11-18-13-5-2-1-3-6-13)16(21)19-14-7-4-8-15(20)9-14/h1-9,11,18,20H,(H,19,21)/b12-11-
InChIKeyITKUOIYCPKYLGX-QXMHVHEDSA-N
XLogP2.85
TPSA85.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-3-(4-hydroxyanilino)-N-(3-hydroxyphenyl)prop-2-enamide
CID 108816826
(Z)-3-(3-chloroanilino)-2-cyano-N-(3-hydroxyphenyl)prop-2-enamide
CID 108816915
2-[[(Z)-2-cyano-3-(3-hydroxyanilino)-3-oxoprop-1-enyl]amino]propanoic acid
CID 108816873
(Z)-2-cyano-N-(3-hydroxyphenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]prop-2-enamide
CID 108817006
(Z)-2-cyano-3-(2-cyanoethylamino)-N-(3-hydroxyphenyl)prop-2-enamide
CID 108817155
(Z)-N-benzyl-2-cyano-3-(3-hydroxyanilino)prop-2-enamide
CID 108842100
4-[[(Z)-2-cyano-3-(3-hydroxyanilino)-3-oxoprop-1-enyl]amino]butanoic acid
CID 108816876
(Z)-3-[(5-bromopyrimidin-2-yl)amino]-2-cyano-N-(3-hydroxyphenyl)prop-2-enamide
CID 108817147
(Z)-2-cyano-3-(2,5-dimethylanilino)-N-(3-hydroxyphenyl)prop-2-enamide
CID 108817050
2-[[(Z)-2-cyano-3-(3-hydroxyanilino)-3-oxoprop-1-enyl]amino]-3-methylbutanoic acid
CID 108816875
(Z)-3-anilino-2-cyano-N-(4-fluorophenyl)prop-2-enamide
CID 108851908
(Z)-2-cyano-N-(3-hydroxyphenyl)-3-(3-hydroxypropylamino)prop-2-enamide
CID 108816974

Frequently Asked Questions

What is the IUPAC name of (Z)-3-anilino-2-cyano-N-(3-hydroxyphenyl)prop-2-enamide?
The IUPAC name of (Z)-3-anilino-2-cyano-N-(3-hydroxyphenyl)prop-2-enamide (CID 108816953) is (Z)-3-anilino-2-cyano-N-(3-hydroxyphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-anilino-2-cyano-N-(3-hydroxyphenyl)prop-2-enamide?
The canonical SMILES for (Z)-3-anilino-2-cyano-N-(3-hydroxyphenyl)prop-2-enamide is N#C/C(=C/Nc1ccccc1)C(=O)Nc1cccc(O)c1.
What is the InChIKey of (Z)-3-anilino-2-cyano-N-(3-hydroxyphenyl)prop-2-enamide?
The InChIKey is ITKUOIYCPKYLGX-QXMHVHEDSA-N. The full InChI is InChI=1S/C16H13N3O2/c17-10-12(11-18-13-5-2-1-3-6-13)16(21)19-14-7-4-8-15(20)9-14/h1-9,11,18,20H,(H,19,21)/b12-11-.
What are the key properties of (Z)-3-anilino-2-cyano-N-(3-hydroxyphenyl)prop-2-enamide?
(Z)-3-anilino-2-cyano-N-(3-hydroxyphenyl)prop-2-enamide has a molecular weight of 279.30 g/mol, XLogP of 2.85, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-anilino-2-cyano-N-(3-hydroxyphenyl)prop-2-enamide is sourced from PubChem (CID 108816953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).