3-(2,5-dichlorophenyl)-N-[2-(hydroxymethyl)phenyl]prop-2-enamide

C16H13Cl2NO2 — CID 76905371

IUPAC3-(2,5-dichlorophenyl)-N-[2-(hydroxymethyl)phenyl]prop-2-enamide
SMILESO=C(C=Cc1cc(Cl)ccc1Cl)Nc1ccccc1CO
InChIInChI=1S/C16H13Cl2NO2/c17-13-6-7-14(18)11(9-13)5-8-16(21)19-15-4-2-1-3-12(15)10-20/h1-9,20H,10H2,(H,19,21)
InChIKeyZBQSHPHVGQLEPL-UHFFFAOYSA-N
MW322.19 g/mol
LogP4.14
Rot. Bonds4

About 3-(2,5-dichlorophenyl)-N-[2-(hydroxymethyl)phenyl]prop-2-enamide

3-(2,5-dichlorophenyl)-N-[2-(hydroxymethyl)phenyl]prop-2-enamide (PubChem CID 76905371) has the molecular formula C16H13Cl2NO2 and a molecular weight of 322.19 g/mol. Its IUPAC name is 3-(2,5-dichlorophenyl)-N-[2-(hydroxymethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-(2,5-dichlorophenyl)-N-[2-(hydroxymethyl)phenyl]prop-2-enamide
PubChem CID76905371
Molecular FormulaC16H13Cl2NO2
Molecular Weight322.19 g/mol
Exact Mass321.03
IUPAC Name3-(2,5-dichlorophenyl)-N-[2-(hydroxymethyl)phenyl]prop-2-enamide
SMILESO=C(C=Cc1cc(Cl)ccc1Cl)Nc1ccccc1CO
InChIInChI=1S/C16H13Cl2NO2/c17-13-6-7-14(18)11(9-13)5-8-16(21)19-15-4-2-1-3-12(15)10-20/h1-9,20H,10H2,(H,19,21)
InChIKeyZBQSHPHVGQLEPL-UHFFFAOYSA-N
XLogP4.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.19
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2,5-dichlorophenyl)-N-[2-(hydroxymethyl)phenyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dichloro-N-[2-(hydroxymethyl)phenyl]benzamide
CID 61497828
(E)-3-(2,5-dichlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylprop-2-enamide
CID 55456685
3-(2-chlorophenyl)-N-(2,4-dichlorophenyl)prop-2-enamide
CID 966049
N-(2-benzylphenyl)-3-(2-chlorophenyl)prop-2-enamide
CID 3394107
3-(2,4-dichlorophenyl)-N-(2-fluorophenyl)prop-2-enamide
CID 700917
(E)-3-(2,4-dichlorophenyl)-N-(2-fluorophenyl)prop-2-enamide
CID 700919
(E)-3-(2,5-dichlorophenyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]prop-2-enamide
CID 107845891
5-chloro-2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]benzoic acid
CID 23292165
3-(3-bromophenyl)-N-[2-(hydroxymethyl)phenyl]prop-2-enamide
CID 76905377
3-(2-chlorophenyl)-N-(2-fluorophenyl)prop-2-enamide
CID 966058
(E)-3-(5-chloro-2-methoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 17340973
(E)-N-(2-benzoyl-4-chlorophenyl)-3-(2-chlorophenyl)prop-2-enamide
CID 6121168

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorophenyl)-N-[2-(hydroxymethyl)phenyl]prop-2-enamide?
The IUPAC name of 3-(2,5-dichlorophenyl)-N-[2-(hydroxymethyl)phenyl]prop-2-enamide (CID 76905371) is 3-(2,5-dichlorophenyl)-N-[2-(hydroxymethyl)phenyl]prop-2-enamide.
What is the SMILES notation for 3-(2,5-dichlorophenyl)-N-[2-(hydroxymethyl)phenyl]prop-2-enamide?
The canonical SMILES for 3-(2,5-dichlorophenyl)-N-[2-(hydroxymethyl)phenyl]prop-2-enamide is O=C(C=Cc1cc(Cl)ccc1Cl)Nc1ccccc1CO.
What is the InChIKey of 3-(2,5-dichlorophenyl)-N-[2-(hydroxymethyl)phenyl]prop-2-enamide?
The InChIKey is ZBQSHPHVGQLEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO2/c17-13-6-7-14(18)11(9-13)5-8-16(21)19-15-4-2-1-3-12(15)10-20/h1-9,20H,10H2,(H,19,21).
What are the key properties of 3-(2,5-dichlorophenyl)-N-[2-(hydroxymethyl)phenyl]prop-2-enamide?
3-(2,5-dichlorophenyl)-N-[2-(hydroxymethyl)phenyl]prop-2-enamide has a molecular weight of 322.19 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorophenyl)-N-[2-(hydroxymethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 76905371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).