(E)-3-(4-bromophenyl)-N-(4-hydroxy-2-methylphenyl)prop-2-enamide

C16H14BrNO2 — CID 17341892

IUPAC(E)-3-(4-bromophenyl)-N-(4-hydroxy-2-methylphenyl)prop-2-enamide
SMILESCc1cc(O)ccc1NC(=O)/C=C/c1ccc(Br)cc1
InChIInChI=1S/C16H14BrNO2/c1-11-10-14(19)7-8-15(11)18-16(20)9-4-12-2-5-13(17)6-3-12/h2-10,19H,1H3,(H,18,20)/b9-4+
InChIKeySVFUWJXQEURUAL-RUDMXATFSA-N
MW332.20 g/mol
LogP4.12
Rot. Bonds3

About (E)-3-(4-bromophenyl)-N-(4-hydroxy-2-methylphenyl)prop-2-enamide

(E)-3-(4-bromophenyl)-N-(4-hydroxy-2-methylphenyl)prop-2-enamide (PubChem CID 17341892) has the molecular formula C16H14BrNO2 and a molecular weight of 332.20 g/mol. Its IUPAC name is (E)-3-(4-bromophenyl)-N-(4-hydroxy-2-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-bromophenyl)-N-(4-hydroxy-2-methylphenyl)prop-2-enamide
PubChem CID17341892
Molecular FormulaC16H14BrNO2
Molecular Weight332.20 g/mol
Exact Mass331.02
IUPAC Name(E)-3-(4-bromophenyl)-N-(4-hydroxy-2-methylphenyl)prop-2-enamide
SMILESCc1cc(O)ccc1NC(=O)/C=C/c1ccc(Br)cc1
InChIInChI=1S/C16H14BrNO2/c1-11-10-14(19)7-8-15(11)18-16(20)9-4-12-2-5-13(17)6-3-12/h2-10,19H,1H3,(H,18,20)/b9-4+
InChIKeySVFUWJXQEURUAL-RUDMXATFSA-N
XLogP4.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-bromophenyl)-N-(2,4-dimethylphenyl)prop-2-enamide
CID 4256749
(E)-3-(4-bromophenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide
CID 896371
(E)-N-(2,4-dimethylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 969096
N-(4-hydroxy-2-methylphenyl)hexa-2,4-dienamide
CID 77045482
(E)-N-(4-fluoro-2-methylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 8863833
(E)-3-(4-bromophenyl)-N-(2,4-dichlorophenyl)prop-2-enamide
CID 1290272
(E)-N-(3-bromo-4-methylphenyl)-3-(4-hydroxyphenyl)prop-2-enamide
CID 84552549
5-hydroxy-2-[[(E)-3-(4-hydroxy-3-methylphenyl)prop-2-enoyl]amino]benzoic acid
CID 89280749
5-bromo-2-(3-phenylprop-2-enoylamino)benzoic acid
CID 72738376
(E)-N-(4-bromo-2-methylphenyl)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 9410498
(E)-3-(4-tert-butylphenyl)-N-(4-chloro-2-methylphenyl)prop-2-enamide
CID 2177723
methyl 5-bromo-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoate
CID 19168701

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-bromophenyl)-N-(4-hydroxy-2-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-bromophenyl)-N-(4-hydroxy-2-methylphenyl)prop-2-enamide (CID 17341892) is (E)-3-(4-bromophenyl)-N-(4-hydroxy-2-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-bromophenyl)-N-(4-hydroxy-2-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-bromophenyl)-N-(4-hydroxy-2-methylphenyl)prop-2-enamide is Cc1cc(O)ccc1NC(=O)/C=C/c1ccc(Br)cc1.
What is the InChIKey of (E)-3-(4-bromophenyl)-N-(4-hydroxy-2-methylphenyl)prop-2-enamide?
The InChIKey is SVFUWJXQEURUAL-RUDMXATFSA-N. The full InChI is InChI=1S/C16H14BrNO2/c1-11-10-14(19)7-8-15(11)18-16(20)9-4-12-2-5-13(17)6-3-12/h2-10,19H,1H3,(H,18,20)/b9-4+.
What are the key properties of (E)-3-(4-bromophenyl)-N-(4-hydroxy-2-methylphenyl)prop-2-enamide?
(E)-3-(4-bromophenyl)-N-(4-hydroxy-2-methylphenyl)prop-2-enamide has a molecular weight of 332.20 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-bromophenyl)-N-(4-hydroxy-2-methylphenyl)prop-2-enamide is sourced from PubChem (CID 17341892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).