3-(2,3-dichlorophenyl)-N-(2-hydroxypropyl)-N-methylprop-2-enamide

C13H15Cl2NO2 — CID 76940070

IUPAC3-(2,3-dichlorophenyl)-N-(2-hydroxypropyl)-N-methylprop-2-enamide
SMILESCC(O)CN(C)C(=O)C=Cc1cccc(Cl)c1Cl
InChIInChI=1S/C13H15Cl2NO2/c1-9(17)8-16(2)12(18)7-6-10-4-3-5-11(14)13(10)15/h3-7,9,17H,8H2,1-2H3
InChIKeyXHTCFHLNBZVQDU-UHFFFAOYSA-N
MW288.17 g/mol
LogP2.85
Rot. Bonds4

About 3-(2,3-dichlorophenyl)-N-(2-hydroxypropyl)-N-methylprop-2-enamide

3-(2,3-dichlorophenyl)-N-(2-hydroxypropyl)-N-methylprop-2-enamide (PubChem CID 76940070) has the molecular formula C13H15Cl2NO2 and a molecular weight of 288.17 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-N-(2-hydroxypropyl)-N-methylprop-2-enamide.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-N-(2-hydroxypropyl)-N-methylprop-2-enamide
PubChem CID76940070
Molecular FormulaC13H15Cl2NO2
Molecular Weight288.17 g/mol
Exact Mass287.05
IUPAC Name3-(2,3-dichlorophenyl)-N-(2-hydroxypropyl)-N-methylprop-2-enamide
SMILESCC(O)CN(C)C(=O)C=Cc1cccc(Cl)c1Cl
InChIInChI=1S/C13H15Cl2NO2/c1-9(17)8-16(2)12(18)7-6-10-4-3-5-11(14)13(10)15/h3-7,9,17H,8H2,1-2H3
InChIKeyXHTCFHLNBZVQDU-UHFFFAOYSA-N
XLogP2.85
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(2,3-dichlorophenyl)-N-methoxy-N-methylprop-2-enamide
CID 97305734
3-(2,3-dichlorophenyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylprop-2-enamide
CID 77109035
(E)-3-(2,3-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methylprop-2-enamide
CID 39972101
methyl 3-[3-(2-chlorophenyl)prop-2-enoyl-methylamino]-2-methylpropanoate
CID 76912329
(E)-N-(1,3-benzothiazol-2-ylmethyl)-3-(2,3-dichlorophenyl)-N-methylprop-2-enamide
CID 9392949
(Z)-3-(2,3-dichlorophenyl)prop-2-enoic acid
CID 2412390
(E)-3-(2,3-dichlorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylprop-2-enamide
CID 94636625
2-[[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]-propylamino]acetic acid
CID 61013143
3-(2,3-dichlorophenyl)-N-(1-methoxypropan-2-yl)prop-2-enamide
CID 75616541
(E)-3-(2,3-dichlorophenyl)prop-2-enoate
CID 2063719
(2R)-2-[3-(2,3-dichlorophenyl)prop-2-enoylamino]propanoic acid
CID 78972941
ethyl 2-[[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]-ethylamino]acetate
CID 61013050

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-N-(2-hydroxypropyl)-N-methylprop-2-enamide?
The IUPAC name of 3-(2,3-dichlorophenyl)-N-(2-hydroxypropyl)-N-methylprop-2-enamide (CID 76940070) is 3-(2,3-dichlorophenyl)-N-(2-hydroxypropyl)-N-methylprop-2-enamide.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-N-(2-hydroxypropyl)-N-methylprop-2-enamide?
The canonical SMILES for 3-(2,3-dichlorophenyl)-N-(2-hydroxypropyl)-N-methylprop-2-enamide is CC(O)CN(C)C(=O)C=Cc1cccc(Cl)c1Cl.
What is the InChIKey of 3-(2,3-dichlorophenyl)-N-(2-hydroxypropyl)-N-methylprop-2-enamide?
The InChIKey is XHTCFHLNBZVQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO2/c1-9(17)8-16(2)12(18)7-6-10-4-3-5-11(14)13(10)15/h3-7,9,17H,8H2,1-2H3.
What are the key properties of 3-(2,3-dichlorophenyl)-N-(2-hydroxypropyl)-N-methylprop-2-enamide?
3-(2,3-dichlorophenyl)-N-(2-hydroxypropyl)-N-methylprop-2-enamide has a molecular weight of 288.17 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-N-(2-hydroxypropyl)-N-methylprop-2-enamide is sourced from PubChem (CID 76940070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).