(Z)-2-cyano-N,3-bis(4-hydroxyphenyl)prop-2-enamide

C16H12N2O3 — CID 869414

IUPAC(Z)-2-cyano-N,3-bis(4-hydroxyphenyl)prop-2-enamide
SMILESN#C/C(=C/c1ccc(O)cc1)C(=O)Nc1ccc(O)cc1
InChIInChI=1S/C16H12N2O3/c17-10-12(9-11-1-5-14(19)6-2-11)16(21)18-13-3-7-15(20)8-4-13/h1-9,19-20H,(H,18,21)/b12-9-
InChIKeyDHSLACSDHWIVAQ-XFXZXTDPSA-N
MW280.28 g/mol
LogP2.64
Rot. Bonds3

About (Z)-2-cyano-N,3-bis(4-hydroxyphenyl)prop-2-enamide

(Z)-2-cyano-N,3-bis(4-hydroxyphenyl)prop-2-enamide (PubChem CID 869414) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is (Z)-2-cyano-N,3-bis(4-hydroxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N,3-bis(4-hydroxyphenyl)prop-2-enamide
PubChem CID869414
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name(Z)-2-cyano-N,3-bis(4-hydroxyphenyl)prop-2-enamide
SMILESN#C/C(=C/c1ccc(O)cc1)C(=O)Nc1ccc(O)cc1
InChIInChI=1S/C16H12N2O3/c17-10-12(9-11-1-5-14(19)6-2-11)16(21)18-13-3-7-15(20)8-4-13/h1-9,19-20H,(H,18,21)/b12-9-
InChIKeyDHSLACSDHWIVAQ-XFXZXTDPSA-N
XLogP2.64
TPSA93.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-cyano-N-(4-ethylphenyl)-3-(4-hydroxyphenyl)prop-2-enamide
CID 7967214
(E)-2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]-3-(4-hydroxyphenyl)prop-2-enamide
CID 2383887
3-[4-(4-chlorophenyl)sulfanylphenyl]-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide
CID 3951523
(E)-2-cyano-N-(4-hydroxyphenyl)-3-(4-prop-2-ynoxyphenyl)prop-2-enamide
CID 6021141
(E)-N-(3-chlorophenyl)-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide
CID 21206054
[4-[(E)-2-cyano-3-(4-hydroxyanilino)-3-oxoprop-1-enyl]phenyl] benzenesulfonate
CID 126075966
(E)-N-(4-acetamidophenyl)-2-cyano-3-(4-methylphenyl)prop-2-enamide
CID 7945801
(E)-2-cyano-N,3-bis(4-propan-2-ylphenyl)prop-2-enamide
CID 730579
(E)-3-(4-acetamidophenyl)-2-cyano-N-(4-methylphenyl)prop-2-enamide
CID 7911783
(Z)-3-(4-chloro-3-nitrophenyl)-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide
CID 126382280
(Z)-3-(4-bromophenyl)-N-(4-chlorophenyl)-2-cyanoprop-2-enamide
CID 1251627
(Z)-2-cyano-3-(4-cyanophenyl)-N-(4-methylphenyl)prop-2-enamide
CID 7265065

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N,3-bis(4-hydroxyphenyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N,3-bis(4-hydroxyphenyl)prop-2-enamide (CID 869414) is (Z)-2-cyano-N,3-bis(4-hydroxyphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N,3-bis(4-hydroxyphenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N,3-bis(4-hydroxyphenyl)prop-2-enamide is N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1ccc(O)cc1.
What is the InChIKey of (Z)-2-cyano-N,3-bis(4-hydroxyphenyl)prop-2-enamide?
The InChIKey is DHSLACSDHWIVAQ-XFXZXTDPSA-N. The full InChI is InChI=1S/C16H12N2O3/c17-10-12(9-11-1-5-14(19)6-2-11)16(21)18-13-3-7-15(20)8-4-13/h1-9,19-20H,(H,18,21)/b12-9-.
What are the key properties of (Z)-2-cyano-N,3-bis(4-hydroxyphenyl)prop-2-enamide?
(Z)-2-cyano-N,3-bis(4-hydroxyphenyl)prop-2-enamide has a molecular weight of 280.28 g/mol, XLogP of 2.64, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N,3-bis(4-hydroxyphenyl)prop-2-enamide is sourced from PubChem (CID 869414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).