3-(3-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylprop-2-enamide

C20H21ClN2O2 — CID 78756435

IUPAC3-(3-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylprop-2-enamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)C=Cc1cccc(Cl)c1
InChIInChI=1S/C20H21ClN2O2/c1-3-16-8-4-5-10-18(16)22-19(24)14-23(2)20(25)12-11-15-7-6-9-17(21)13-15/h4-13H,3,14H2,1-2H3,(H,22,24)
InChIKeyCYEQXVWCXXMADN-UHFFFAOYSA-N
MW356.85 g/mol
LogP4.01
Rot. Bonds6

About 3-(3-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylprop-2-enamide

3-(3-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylprop-2-enamide (PubChem CID 78756435) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylprop-2-enamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylprop-2-enamide
PubChem CID78756435
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC Name3-(3-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylprop-2-enamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)C=Cc1cccc(Cl)c1
InChIInChI=1S/C20H21ClN2O2/c1-3-16-8-4-5-10-18(16)22-19(24)14-23(2)20(25)12-11-15-7-6-9-17(21)13-15/h4-13H,3,14H2,1-2H3,(H,22,24)
InChIKeyCYEQXVWCXXMADN-UHFFFAOYSA-N
XLogP4.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 54.01
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

[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] (E)-3-(3-chlorophenyl)prop-2-enoate
CID 2512619
(E)-3-(2,5-dichlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylprop-2-enamide
CID 55456685
[2-(2-ethylanilino)-2-oxoethyl] (E)-3-(3-chlorophenyl)prop-2-enoate
CID 8603922
methyl 4-[3-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-3-oxoprop-1-enyl]benzoate
CID 78773378
(E)-N-[2-(2-ethylanilino)-2-oxoethyl]-3-[4-(methanesulfonamido)phenyl]-N-methylprop-2-enamide
CID 46564044
3-[2-chloro-5-(trifluoromethyl)phenyl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylprop-2-enamide
CID 55333062
2-[(3-chlorophenyl)methyl-methylamino]-N-(2-ethylphenyl)acetamide
CID 26510093
(E)-N-[2-(2-bromoanilino)-2-oxoethyl]-3-(3-chloro-4-methylphenyl)-N-methylprop-2-enamide
CID 26622546
(E)-N-(2-anilino-2-oxoethyl)-N-methyl-3-(3-methylphenyl)prop-2-enamide
CID 46425147
(E)-3-(3-chlorophenyl)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylprop-2-enamide
CID 55453994
(E)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylprop-2-enamide
CID 55510870
N-[(3-chlorophenyl)methyl]-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 9304232

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylprop-2-enamide?
The IUPAC name of 3-(3-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylprop-2-enamide (CID 78756435) is 3-(3-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylprop-2-enamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylprop-2-enamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylprop-2-enamide is CCc1ccccc1NC(=O)CN(C)C(=O)C=Cc1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylprop-2-enamide?
The InChIKey is CYEQXVWCXXMADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c1-3-16-8-4-5-10-18(16)22-19(24)14-23(2)20(25)12-11-15-7-6-9-17(21)13-15/h4-13H,3,14H2,1-2H3,(H,22,24).
What are the key properties of 3-(3-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylprop-2-enamide?
3-(3-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylprop-2-enamide has a molecular weight of 356.85 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylprop-2-enamide is sourced from PubChem (CID 78756435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).