(E)-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-3-phenylprop-2-enamide

C20H21ClN2O2 — CID 8960410

IUPAC(E)-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-3-phenylprop-2-enamide
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C20H21ClN2O2/c1-3-23(20(25)12-10-16-7-5-4-6-8-16)14-19(24)22-18-13-17(21)11-9-15(18)2/h4-13H,3,14H2,1-2H3,(H,22,24)/b12-10+
InChIKeyMZVQMSGAYJYAIW-ZRDIBKRKSA-N
MW356.85 g/mol
LogP4.15
Rot. Bonds6

About (E)-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-3-phenylprop-2-enamide

(E)-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-3-phenylprop-2-enamide (PubChem CID 8960410) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is (E)-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-3-phenylprop-2-enamide
PubChem CID8960410
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC Name(E)-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-3-phenylprop-2-enamide
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C20H21ClN2O2/c1-3-23(20(25)12-10-16-7-5-4-6-8-16)14-19(24)22-18-13-17(21)11-9-15(18)2/h4-13H,3,14H2,1-2H3,(H,22,24)/b12-10+
InChIKeyMZVQMSGAYJYAIW-ZRDIBKRKSA-N
XLogP4.15
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 ≤ 54.15
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

(E)-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-3-(furan-2-yl)prop-2-enamide
CID 8960409
(E)-3-(3-chlorophenyl)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylprop-2-enamide
CID 55453994
(E)-N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-3-phenylprop-2-enamide
CID 18077818
N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-(2-methylphenoxy)acetyl]amino]acetamide
CID 7761058
2-[[2-(2-acetamidophenoxy)acetyl]-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide
CID 9017928
2-[[2-(benzhydrylamino)-2-oxoethyl]-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide
CID 16554961
(3R)-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7761065
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
(E)-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propyl-3-pyridin-4-ylprop-2-enamide
CID 60553668
N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide
CID 8791816
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-oxochromene-3-carboxamide
CID 18112982
N-(5-chloro-2-methylphenyl)-2-(2-methylphenyl)acetamide
CID 8624306

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-3-phenylprop-2-enamide (CID 8960410) is (E)-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-3-phenylprop-2-enamide is CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-3-phenylprop-2-enamide?
The InChIKey is MZVQMSGAYJYAIW-ZRDIBKRKSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c1-3-23(20(25)12-10-16-7-5-4-6-8-16)14-19(24)22-18-13-17(21)11-9-15(18)2/h4-13H,3,14H2,1-2H3,(H,22,24)/b12-10+.
What are the key properties of (E)-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-3-phenylprop-2-enamide?
(E)-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-3-phenylprop-2-enamide has a molecular weight of 356.85 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-3-phenylprop-2-enamide is sourced from PubChem (CID 8960410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).