(E)-N-(3-chlorophenyl)-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide

C16H11ClN2O2 — CID 21206054

IUPAC(E)-N-(3-chlorophenyl)-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide
SMILESN#C/C(=C\c1ccc(O)cc1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H11ClN2O2/c17-13-2-1-3-14(9-13)19-16(21)12(10-18)8-11-4-6-15(20)7-5-11/h1-9,20H,(H,19,21)/b12-8+
InChIKeyAJRHEBHRAHAGIY-XYOKQWHBSA-N
MW298.73 g/mol
LogP3.59
Rot. Bonds3

About (E)-N-(3-chlorophenyl)-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide

(E)-N-(3-chlorophenyl)-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide (PubChem CID 21206054) has the molecular formula C16H11ClN2O2 and a molecular weight of 298.73 g/mol. Its IUPAC name is (E)-N-(3-chlorophenyl)-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-chlorophenyl)-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide
PubChem CID21206054
Molecular FormulaC16H11ClN2O2
Molecular Weight298.73 g/mol
Exact Mass298.05
IUPAC Name(E)-N-(3-chlorophenyl)-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide
SMILESN#C/C(=C\c1ccc(O)cc1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H11ClN2O2/c17-13-2-1-3-14(9-13)19-16(21)12(10-18)8-11-4-6-15(20)7-5-11/h1-9,20H,(H,19,21)/b12-8+
InChIKeyAJRHEBHRAHAGIY-XYOKQWHBSA-N
XLogP3.59
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 53.59
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

N-(3-chlorophenyl)-2-cyano-3-phenylprop-2-enamide
CID 3278531
(E)-3-(3-bromophenyl)-N-(3-chlorophenyl)-2-cyanoprop-2-enamide
CID 27129765
(Z)-2-cyano-N,3-bis(4-hydroxyphenyl)prop-2-enamide
CID 869414
N-(3-chlorophenyl)-2-cyano-3-(3-cyano-4,5-dihydroxyphenyl)prop-2-enamide
CID 54450974
(E)-N-(3-bromophenyl)-3-(4-chlorophenyl)-2-cyanoprop-2-enamide
CID 1366410
N-(3-chlorophenyl)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
CID 7044224
(Z)-3-(3-chloroanilino)-N-(3-chlorophenyl)-2-cyanoprop-2-enamide
CID 46920705
(Z)-3-(3-chloroanilino)-2-cyano-N-(3-hydroxyphenyl)prop-2-enamide
CID 108816915
3-[4-(4-chlorophenyl)sulfanylphenyl]-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide
CID 3951523
(Z)-N-[(3-chlorophenyl)carbamoyl]-2-cyano-3-(4-methoxyphenyl)prop-2-enamide
CID 1271189
(E)-3-(2-chloro-6-fluorophenyl)-N-(3-chlorophenyl)-2-cyanoprop-2-enamide
CID 40598329
(E)-N-(3-chlorophenyl)-2-cyano-3-pyridin-2-ylprop-2-enamide
CID 29021882

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-chlorophenyl)-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(3-chlorophenyl)-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide (CID 21206054) is (E)-N-(3-chlorophenyl)-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-chlorophenyl)-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-chlorophenyl)-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide is N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of (E)-N-(3-chlorophenyl)-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide?
The InChIKey is AJRHEBHRAHAGIY-XYOKQWHBSA-N. The full InChI is InChI=1S/C16H11ClN2O2/c17-13-2-1-3-14(9-13)19-16(21)12(10-18)8-11-4-6-15(20)7-5-11/h1-9,20H,(H,19,21)/b12-8+.
What are the key properties of (E)-N-(3-chlorophenyl)-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide?
(E)-N-(3-chlorophenyl)-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide has a molecular weight of 298.73 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-chlorophenyl)-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide is sourced from PubChem (CID 21206054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).