3-(2,3-dichlorophenyl)-N-(1-methoxypropan-2-yl)prop-2-enamide

C13H15Cl2NO2 — CID 75616541

IUPAC3-(2,3-dichlorophenyl)-N-(1-methoxypropan-2-yl)prop-2-enamide
SMILESCOCC(C)NC(=O)C=Cc1cccc(Cl)c1Cl
InChIInChI=1S/C13H15Cl2NO2/c1-9(8-18-2)16-12(17)7-6-10-4-3-5-11(14)13(10)15/h3-7,9H,8H2,1-2H3,(H,16,17)
InChIKeyZKCDRWRVZWNKOJ-UHFFFAOYSA-N
MW288.17 g/mol
LogP3.16
Rot. Bonds5

About 3-(2,3-dichlorophenyl)-N-(1-methoxypropan-2-yl)prop-2-enamide

3-(2,3-dichlorophenyl)-N-(1-methoxypropan-2-yl)prop-2-enamide (PubChem CID 75616541) has the molecular formula C13H15Cl2NO2 and a molecular weight of 288.17 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-N-(1-methoxypropan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-N-(1-methoxypropan-2-yl)prop-2-enamide
PubChem CID75616541
Molecular FormulaC13H15Cl2NO2
Molecular Weight288.17 g/mol
Exact Mass287.05
IUPAC Name3-(2,3-dichlorophenyl)-N-(1-methoxypropan-2-yl)prop-2-enamide
SMILESCOCC(C)NC(=O)C=Cc1cccc(Cl)c1Cl
InChIInChI=1S/C13H15Cl2NO2/c1-9(8-18-2)16-12(17)7-6-10-4-3-5-11(14)13(10)15/h3-7,9H,8H2,1-2H3,(H,16,17)
InChIKeyZKCDRWRVZWNKOJ-UHFFFAOYSA-N
XLogP3.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 53.16
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

(2R)-2-[3-(2,3-dichlorophenyl)prop-2-enoylamino]propanoic acid
CID 78972941
(E)-3-(2-chlorophenyl)-N-pentan-2-ylprop-2-enamide
CID 6089494
(Z)-3-(2-chlorophenyl)-N-[(2R)-2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 129441523
(E)-3-(2-chlorophenyl)-N-[(2R)-6-methylheptan-2-yl]prop-2-enamide
CID 2289651
(Z)-3-(2,3-dichlorophenyl)-N-methoxy-N-methylprop-2-enamide
CID 97305734
1-[(Z)-(2,3-dichlorophenyl)methylideneamino]-3-[(2S)-1-methoxypropan-2-yl]thiourea
CID 9175874
(E)-3-(2,3-dichlorophenyl)-N-[(3,5-dimethoxyphenyl)methyl]prop-2-enamide
CID 55595605
3-(furan-2-yl)-N-(1-methoxypropan-2-yl)prop-2-enamide
CID 75619467
4-[[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]amino]-2-methylbutanoic acid
CID 80538396
3-(2,3-dichlorophenyl)-N-(2-hydroxypropyl)-N-methylprop-2-enamide
CID 76940070
(E)-3-[2-chloro-4-(1-methoxypropan-2-ylcarbamoyl)phenyl]prop-2-enoic acid
CID 81308004
2-chloro-4-[[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]amino]-N-(2-methoxyethyl)benzamide
CID 55877500

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-N-(1-methoxypropan-2-yl)prop-2-enamide?
The IUPAC name of 3-(2,3-dichlorophenyl)-N-(1-methoxypropan-2-yl)prop-2-enamide (CID 75616541) is 3-(2,3-dichlorophenyl)-N-(1-methoxypropan-2-yl)prop-2-enamide.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-N-(1-methoxypropan-2-yl)prop-2-enamide?
The canonical SMILES for 3-(2,3-dichlorophenyl)-N-(1-methoxypropan-2-yl)prop-2-enamide is COCC(C)NC(=O)C=Cc1cccc(Cl)c1Cl.
What is the InChIKey of 3-(2,3-dichlorophenyl)-N-(1-methoxypropan-2-yl)prop-2-enamide?
The InChIKey is ZKCDRWRVZWNKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO2/c1-9(8-18-2)16-12(17)7-6-10-4-3-5-11(14)13(10)15/h3-7,9H,8H2,1-2H3,(H,16,17).
What are the key properties of 3-(2,3-dichlorophenyl)-N-(1-methoxypropan-2-yl)prop-2-enamide?
3-(2,3-dichlorophenyl)-N-(1-methoxypropan-2-yl)prop-2-enamide has a molecular weight of 288.17 g/mol, XLogP of 3.16, 5 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-(1-methoxypropan-2-yl)prop-2-enamide is sourced from PubChem (CID 75616541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).