2-[(2,4-dichlorophenyl)-hydroxymethyl]prop-2-enamide

C10H9Cl2NO2 — CID 101435730

IUPAC2-[(2,4-dichlorophenyl)-hydroxymethyl]prop-2-enamide
SMILESC=C(C(N)=O)C(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H9Cl2NO2/c1-5(10(13)15)9(14)7-3-2-6(11)4-8(7)12/h2-4,9,14H,1H2,(H2,13,15)
InChIKeyGAHMDQJRRSEZAV-UHFFFAOYSA-N
MW246.09 g/mol
LogP2.07
Rot. Bonds3

About 2-[(2,4-dichlorophenyl)-hydroxymethyl]prop-2-enamide

2-[(2,4-dichlorophenyl)-hydroxymethyl]prop-2-enamide (PubChem CID 101435730) has the molecular formula C10H9Cl2NO2 and a molecular weight of 246.09 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)-hydroxymethyl]prop-2-enamide.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)-hydroxymethyl]prop-2-enamide
PubChem CID101435730
Molecular FormulaC10H9Cl2NO2
Molecular Weight246.09 g/mol
Exact Mass245.00
IUPAC Name2-[(2,4-dichlorophenyl)-hydroxymethyl]prop-2-enamide
SMILESC=C(C(N)=O)C(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H9Cl2NO2/c1-5(10(13)15)9(14)7-3-2-6(11)4-8(7)12/h2-4,9,14H,1H2,(H2,13,15)
InChIKeyGAHMDQJRRSEZAV-UHFFFAOYSA-N
XLogP2.07
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.09
LogP ≤ 52.07
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

3-[(S)-(2,4-dichlorophenyl)-hydroxymethyl]but-3-en-2-one
CID 102374717
tert-butyl 2-[(2,4-dichlorophenyl)-hydroxymethyl]prop-2-enoate
CID 101468908
(1S)-1-(2,4-dichlorophenyl)-2-phenylprop-2-en-1-ol
CID 129362559
[(2R)-1-(2,4-dichlorophenyl)-1-hydroxypropan-2-yl] carbamate
CID 145362480
2-(2,5-dichlorophenyl)-2-oxoacetamide
CID 139220452
6-amino-6-(2,4-dichlorophenyl)hexanamide
CID 61271207
2-amino-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 43176389
bis[(2,4-dichlorophenyl)-hydroxymethyl]phosphinic acid
CID 139464935
2-(2,4-dichlorophenyl)propanoyl chloride
CID 14408749
2-(2,4-dichlorophenyl)-4-methylpent-4-enoic acid
CID 84752989
[cyano-(2,4-dichlorophenyl)methyl]urea
CID 110192031
2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
CID 26602537

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)-hydroxymethyl]prop-2-enamide?
The IUPAC name of 2-[(2,4-dichlorophenyl)-hydroxymethyl]prop-2-enamide (CID 101435730) is 2-[(2,4-dichlorophenyl)-hydroxymethyl]prop-2-enamide.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)-hydroxymethyl]prop-2-enamide?
The canonical SMILES for 2-[(2,4-dichlorophenyl)-hydroxymethyl]prop-2-enamide is C=C(C(N)=O)C(O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[(2,4-dichlorophenyl)-hydroxymethyl]prop-2-enamide?
The InChIKey is GAHMDQJRRSEZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO2/c1-5(10(13)15)9(14)7-3-2-6(11)4-8(7)12/h2-4,9,14H,1H2,(H2,13,15).
What are the key properties of 2-[(2,4-dichlorophenyl)-hydroxymethyl]prop-2-enamide?
2-[(2,4-dichlorophenyl)-hydroxymethyl]prop-2-enamide has a molecular weight of 246.09 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)-hydroxymethyl]prop-2-enamide is sourced from PubChem (CID 101435730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).