3-(3-bromophenyl)-N-[2-(hydroxymethyl)phenyl]prop-2-enamide

C16H14BrNO2 — CID 76905377

IUPAC3-(3-bromophenyl)-N-[2-(hydroxymethyl)phenyl]prop-2-enamide
SMILESO=C(C=Cc1cccc(Br)c1)Nc1ccccc1CO
InChIInChI=1S/C16H14BrNO2/c17-14-6-3-4-12(10-14)8-9-16(20)18-15-7-2-1-5-13(15)11-19/h1-10,19H,11H2,(H,18,20)
InChIKeyCSWYYAILZXNICD-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.59
Rot. Bonds4

About 3-(3-bromophenyl)-N-[2-(hydroxymethyl)phenyl]prop-2-enamide

3-(3-bromophenyl)-N-[2-(hydroxymethyl)phenyl]prop-2-enamide (PubChem CID 76905377) has the molecular formula C16H14BrNO2 and a molecular weight of 332.20 g/mol. Its IUPAC name is 3-(3-bromophenyl)-N-[2-(hydroxymethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-(3-bromophenyl)-N-[2-(hydroxymethyl)phenyl]prop-2-enamide
PubChem CID76905377
Molecular FormulaC16H14BrNO2
Molecular Weight332.20 g/mol
Exact Mass331.02
IUPAC Name3-(3-bromophenyl)-N-[2-(hydroxymethyl)phenyl]prop-2-enamide
SMILESO=C(C=Cc1cccc(Br)c1)Nc1ccccc1CO
InChIInChI=1S/C16H14BrNO2/c17-14-6-3-4-12(10-14)8-9-16(20)18-15-7-2-1-5-13(15)11-19/h1-10,19H,11H2,(H,18,20)
InChIKeyCSWYYAILZXNICD-UHFFFAOYSA-N
XLogP3.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.59
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

2-[3-(3-bromophenyl)prop-2-enoylamino]benzoic acid
CID 54554141
3-(3-bromophenyl)-N-phenylprop-2-enamide
CID 73014355
(E)-3-(3-bromophenyl)-N-(3-chloro-2-methylphenyl)prop-2-enamide
CID 2671445
(E)-3-(3-bromophenyl)-N-[(2-fluorophenyl)methyl]prop-2-enamide
CID 7924760
(E)-3-(3-bromophenyl)prop-2-enehydrazide
CID 43236571
N-[2-(hydroxymethyl)phenyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 61497888
(E)-3-(3-bromophenyl)-N-(3,5-dichlorophenyl)prop-2-enamide
CID 6158871
3-phenyl-N-[5-(3-phenylprop-2-enoylamino)naphthalen-1-yl]prop-2-enamide
CID 3507012
3-(2,5-dichlorophenyl)-N-[2-(hydroxymethyl)phenyl]prop-2-enamide
CID 76905371
(E)-3-(3-bromophenyl)-N-(2,5-dimethoxyphenyl)prop-2-enamide
CID 6025660
(E)-3-(3-bromophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 2060872
(E)-N-[2-(methylaminomethyl)phenyl]-3-phenylprop-2-enamide
CID 43601058

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-N-[2-(hydroxymethyl)phenyl]prop-2-enamide?
The IUPAC name of 3-(3-bromophenyl)-N-[2-(hydroxymethyl)phenyl]prop-2-enamide (CID 76905377) is 3-(3-bromophenyl)-N-[2-(hydroxymethyl)phenyl]prop-2-enamide.
What is the SMILES notation for 3-(3-bromophenyl)-N-[2-(hydroxymethyl)phenyl]prop-2-enamide?
The canonical SMILES for 3-(3-bromophenyl)-N-[2-(hydroxymethyl)phenyl]prop-2-enamide is O=C(C=Cc1cccc(Br)c1)Nc1ccccc1CO.
What is the InChIKey of 3-(3-bromophenyl)-N-[2-(hydroxymethyl)phenyl]prop-2-enamide?
The InChIKey is CSWYYAILZXNICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO2/c17-14-6-3-4-12(10-14)8-9-16(20)18-15-7-2-1-5-13(15)11-19/h1-10,19H,11H2,(H,18,20).
What are the key properties of 3-(3-bromophenyl)-N-[2-(hydroxymethyl)phenyl]prop-2-enamide?
3-(3-bromophenyl)-N-[2-(hydroxymethyl)phenyl]prop-2-enamide has a molecular weight of 332.20 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-N-[2-(hydroxymethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 76905377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).