2-acetamido-N-(4-chlorophenyl)-3-(2-methylphenyl)prop-2-enamide

C18H17ClN2O2 — CID 4929239

IUPAC2-acetamido-N-(4-chlorophenyl)-3-(2-methylphenyl)prop-2-enamide
SMILESCC(=O)NC(=Cc1ccccc1C)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN2O2/c1-12-5-3-4-6-14(12)11-17(20-13(2)22)18(23)21-16-9-7-15(19)8-10-16/h3-11H,1-2H3,(H,20,22)(H,21,23)
InChIKeyGONZVLMJFBBUIM-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.76
Rot. Bonds4

About 2-acetamido-N-(4-chlorophenyl)-3-(2-methylphenyl)prop-2-enamide

2-acetamido-N-(4-chlorophenyl)-3-(2-methylphenyl)prop-2-enamide (PubChem CID 4929239) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 2-acetamido-N-(4-chlorophenyl)-3-(2-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name2-acetamido-N-(4-chlorophenyl)-3-(2-methylphenyl)prop-2-enamide
PubChem CID4929239
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name2-acetamido-N-(4-chlorophenyl)-3-(2-methylphenyl)prop-2-enamide
SMILESCC(=O)NC(=Cc1ccccc1C)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN2O2/c1-12-5-3-4-6-14(12)11-17(20-13(2)22)18(23)21-16-9-7-15(19)8-10-16/h3-11H,1-2H3,(H,20,22)(H,21,23)
InChIKeyGONZVLMJFBBUIM-UHFFFAOYSA-N
XLogP3.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.76
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

(Z)-2-acetamido-N-(4-anilinophenyl)-3-(2-methylphenyl)prop-2-enamide
CID 17285895
(Z)-2-acetamido-N-(3,4-dimethylphenyl)-3-(2-methylphenyl)prop-2-enamide
CID 17285888
(Z)-2-acetamido-N-(3-acetamido-4-methylphenyl)-3-(2-methylphenyl)prop-2-enamide
CID 54777104
ethyl 4-[[2-acetamido-3-(2-methylphenyl)prop-2-enoyl]amino]benzoate
CID 4929280
2-acetamido-N-(2-hydroxyphenyl)-3-(2-methylphenyl)prop-2-enamide
CID 4929285
(Z)-2-acetamido-N-(2,3-dimethylphenyl)-3-(2-methylphenyl)prop-2-enamide
CID 19629147
2-acetamido-N-(3-methoxyphenyl)-3-(2-methylphenyl)prop-2-enamide
CID 4929290
N-(4-chlorophenyl)-2-cyano-3-(2-methylphenyl)prop-2-enamide
CID 2865855
(Z)-2-acetamido-N-(2-bromophenyl)-3-(2-methylphenyl)prop-2-enamide
CID 17285905
N-[(Z)-3-[4-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylanilino]-1-(2-methylphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 22783618
(Z)-2-acetamido-3-(2-methylphenyl)-N-prop-2-enylprop-2-enamide
CID 19629150
(Z)-2-acetamido-N-(2-ethyl-6-methylphenyl)-3-(2-methylphenyl)prop-2-enamide
CID 17285918

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(4-chlorophenyl)-3-(2-methylphenyl)prop-2-enamide?
The IUPAC name of 2-acetamido-N-(4-chlorophenyl)-3-(2-methylphenyl)prop-2-enamide (CID 4929239) is 2-acetamido-N-(4-chlorophenyl)-3-(2-methylphenyl)prop-2-enamide.
What is the SMILES notation for 2-acetamido-N-(4-chlorophenyl)-3-(2-methylphenyl)prop-2-enamide?
The canonical SMILES for 2-acetamido-N-(4-chlorophenyl)-3-(2-methylphenyl)prop-2-enamide is CC(=O)NC(=Cc1ccccc1C)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-acetamido-N-(4-chlorophenyl)-3-(2-methylphenyl)prop-2-enamide?
The InChIKey is GONZVLMJFBBUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-12-5-3-4-6-14(12)11-17(20-13(2)22)18(23)21-16-9-7-15(19)8-10-16/h3-11H,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 2-acetamido-N-(4-chlorophenyl)-3-(2-methylphenyl)prop-2-enamide?
2-acetamido-N-(4-chlorophenyl)-3-(2-methylphenyl)prop-2-enamide has a molecular weight of 328.80 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(4-chlorophenyl)-3-(2-methylphenyl)prop-2-enamide is sourced from PubChem (CID 4929239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).