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

C15H12ClNO2 — CID 692606

IUPAC(E)-3-(2-chlorophenyl)-N-(3-hydroxyphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Cl)Nc1cccc(O)c1
InChIInChI=1S/C15H12ClNO2/c16-14-7-2-1-4-11(14)8-9-15(19)17-12-5-3-6-13(18)10-12/h1-10,18H,(H,17,19)/b9-8+
InChIKeyUVPDKBTVSFHGAI-CMDGGOBGSA-N
MW273.72 g/mol
LogP3.70
Rot. Bonds3

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

(E)-3-(2-chlorophenyl)-N-(3-hydroxyphenyl)prop-2-enamide (PubChem CID 692606) has the molecular formula C15H12ClNO2 and a molecular weight of 273.72 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-N-(3-hydroxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-N-(3-hydroxyphenyl)prop-2-enamide
PubChem CID692606
Molecular FormulaC15H12ClNO2
Molecular Weight273.72 g/mol
Exact Mass273.06
IUPAC Name(E)-3-(2-chlorophenyl)-N-(3-hydroxyphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Cl)Nc1cccc(O)c1
InChIInChI=1S/C15H12ClNO2/c16-14-7-2-1-4-11(14)8-9-15(19)17-12-5-3-6-13(18)10-12/h1-10,18H,(H,17,19)/b9-8+
InChIKeyUVPDKBTVSFHGAI-CMDGGOBGSA-N
XLogP3.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

SB-366791
CID 667594
Benzamide, N-(3-hydroxyphenyl)-
CID 836140
2(1H)-Quinolone, 7-hydroxy-4-methyl-
CID 5374442
5-hydroxyquinolin-2(1H)-one
CID 5382213
2-Chloro-N-(4-hydroxyphenyl)benzamide
CID 587567
N-(4-Hydroxyphenyl)cinnamamide
CID 639942
N-(3-methoxyphenyl)-4-chlorocinnamanilide
CID 4099413
3-(2-chlorophenyl)-4-[(3-hydroxyphenyl)amino]-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539466
3-(4-chlorophenyl)-4-[(3-hydroxyphenyl)amino]-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539472
2,4-dichloro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 837212
(E)-N-(4-chlorophenyl)-3-(3,4-dihydroxyphenyl)prop-2-enamide
CID 46861775
(E)-N-(4-chlorophenyl)-3-(3-hydroxyphenyl)prop-2-enamide
CID 71559897

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-N-(3-hydroxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-chlorophenyl)-N-(3-hydroxyphenyl)prop-2-enamide (CID 692606) is (E)-3-(2-chlorophenyl)-N-(3-hydroxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-N-(3-hydroxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-chlorophenyl)-N-(3-hydroxyphenyl)prop-2-enamide is O=C(/C=C/c1ccccc1Cl)Nc1cccc(O)c1.
What is the InChIKey of (E)-3-(2-chlorophenyl)-N-(3-hydroxyphenyl)prop-2-enamide?
The InChIKey is UVPDKBTVSFHGAI-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H12ClNO2/c16-14-7-2-1-4-11(14)8-9-15(19)17-12-5-3-6-13(18)10-12/h1-10,18H,(H,17,19)/b9-8+.
What are the key properties of (E)-3-(2-chlorophenyl)-N-(3-hydroxyphenyl)prop-2-enamide?
(E)-3-(2-chlorophenyl)-N-(3-hydroxyphenyl)prop-2-enamide has a molecular weight of 273.72 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-N-(3-hydroxyphenyl)prop-2-enamide is sourced from PubChem (CID 692606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).