3-(2-bromophenyl)-N-(2-hydroxy-1-phenylethyl)prop-2-enamide

C17H16BrNO2 — CID 76988022

IUPAC3-(2-bromophenyl)-N-(2-hydroxy-1-phenylethyl)prop-2-enamide
SMILESO=C(C=Cc1ccccc1Br)NC(CO)c1ccccc1
InChIInChI=1S/C17H16BrNO2/c18-15-9-5-4-6-13(15)10-11-17(21)19-16(12-20)14-7-2-1-3-8-14/h1-11,16,20H,12H2,(H,19,21)
InChIKeyQXZHNWFJULTELQ-UHFFFAOYSA-N
MW346.22 g/mol
LogP3.31
Rot. Bonds5

About 3-(2-bromophenyl)-N-(2-hydroxy-1-phenylethyl)prop-2-enamide

3-(2-bromophenyl)-N-(2-hydroxy-1-phenylethyl)prop-2-enamide (PubChem CID 76988022) has the molecular formula C17H16BrNO2 and a molecular weight of 346.22 g/mol. Its IUPAC name is 3-(2-bromophenyl)-N-(2-hydroxy-1-phenylethyl)prop-2-enamide.

Molecular Properties

Compound Name3-(2-bromophenyl)-N-(2-hydroxy-1-phenylethyl)prop-2-enamide
PubChem CID76988022
Molecular FormulaC17H16BrNO2
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC Name3-(2-bromophenyl)-N-(2-hydroxy-1-phenylethyl)prop-2-enamide
SMILESO=C(C=Cc1ccccc1Br)NC(CO)c1ccccc1
InChIInChI=1S/C17H16BrNO2/c18-15-9-5-4-6-13(15)10-11-17(21)19-16(12-20)14-7-2-1-3-8-14/h1-11,16,20H,12H2,(H,19,21)
InChIKeyQXZHNWFJULTELQ-UHFFFAOYSA-N
XLogP3.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 53.31
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

(E)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 110001866
(E)-N-[(1S)-2-hydroxy-1-phenylethyl]but-2-enamide
CID 102059297
(E)-3-(2-bromophenyl)-N-propan-2-ylprop-2-enamide
CID 18170609
(2R)-2-[3-(2-bromophenyl)prop-2-enoylamino]butanoic acid
CID 79023956
(E)-N-[(1R)-2-hydroxy-1-phenylethyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 103944452
N-(2-hydroxy-1-phenylethyl)-3-pyridin-3-ylprop-2-enamide
CID 76988075
(E)-3-(2-bromophenyl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide
CID 65037251
diethyl 2-[[(E)-3-(2-bromophenyl)prop-2-enoyl]amino]propanedioate
CID 25474462
N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746
(E)-3-(2-bromophenyl)-N-methylprop-2-enamide
CID 47099867
(Z)-3-(2-bromophenyl)-N-cyanoprop-2-enamide
CID 142584939
N-(2-hydroxy-1-phenylethyl)benzamide;hydrochloride
CID 175746997

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-N-(2-hydroxy-1-phenylethyl)prop-2-enamide?
The IUPAC name of 3-(2-bromophenyl)-N-(2-hydroxy-1-phenylethyl)prop-2-enamide (CID 76988022) is 3-(2-bromophenyl)-N-(2-hydroxy-1-phenylethyl)prop-2-enamide.
What is the SMILES notation for 3-(2-bromophenyl)-N-(2-hydroxy-1-phenylethyl)prop-2-enamide?
The canonical SMILES for 3-(2-bromophenyl)-N-(2-hydroxy-1-phenylethyl)prop-2-enamide is O=C(C=Cc1ccccc1Br)NC(CO)c1ccccc1.
What is the InChIKey of 3-(2-bromophenyl)-N-(2-hydroxy-1-phenylethyl)prop-2-enamide?
The InChIKey is QXZHNWFJULTELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO2/c18-15-9-5-4-6-13(15)10-11-17(21)19-16(12-20)14-7-2-1-3-8-14/h1-11,16,20H,12H2,(H,19,21).
What are the key properties of 3-(2-bromophenyl)-N-(2-hydroxy-1-phenylethyl)prop-2-enamide?
3-(2-bromophenyl)-N-(2-hydroxy-1-phenylethyl)prop-2-enamide has a molecular weight of 346.22 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-N-(2-hydroxy-1-phenylethyl)prop-2-enamide is sourced from PubChem (CID 76988022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).