N-(2-benzoyl-4-chlorophenyl)-2-[(1-ethoxy-2-oxoethenyl)-methylamino]acetamide

C20H19ClN2O4 — CID 88844912

IUPACN-(2-benzoyl-4-chlorophenyl)-2-[(1-ethoxy-2-oxoethenyl)-methylamino]acetamide
SMILESCCOC(=C=O)N(C)CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C20H19ClN2O4/c1-3-27-19(13-24)23(2)12-18(25)22-17-10-9-15(21)11-16(17)20(26)14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3,(H,22,25)
InChIKeyNCCKBYRCLGACDA-UHFFFAOYSA-N
MW386.84 g/mol
LogP3.15
Rot. Bonds8

About N-(2-benzoyl-4-chlorophenyl)-2-[(1-ethoxy-2-oxoethenyl)-methylamino]acetamide

N-(2-benzoyl-4-chlorophenyl)-2-[(1-ethoxy-2-oxoethenyl)-methylamino]acetamide (PubChem CID 88844912) has the molecular formula C20H19ClN2O4 and a molecular weight of 386.84 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-2-[(1-ethoxy-2-oxoethenyl)-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-2-[(1-ethoxy-2-oxoethenyl)-methylamino]acetamide
PubChem CID88844912
Molecular FormulaC20H19ClN2O4
Molecular Weight386.84 g/mol
Exact Mass386.10
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-2-[(1-ethoxy-2-oxoethenyl)-methylamino]acetamide
SMILESCCOC(=C=O)N(C)CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C20H19ClN2O4/c1-3-27-19(13-24)23(2)12-18(25)22-17-10-9-15(21)11-16(17)20(26)14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3,(H,22,25)
InChIKeyNCCKBYRCLGACDA-UHFFFAOYSA-N
XLogP3.15
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'ketene', 'substructure': 'N/A'}

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Related Compounds

N-(2-benzoyl-4-chlorophenyl)-2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]acetamide
CID 30168164
N-(2-benzoyl-4-chlorophenyl)-2-iodoacetamide
CID 12500538
[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782592
N-(2-benzoyl-4-chlorophenyl)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide
CID 55838850
[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl]-diethylazanium
CID 5113102
N-(2-benzoyl-4-chlorophenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 45372617
N-(2-benzoyl-4-chlorophenyl)-2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]acetamide
CID 2101756
trans-[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 8020642
N-(2-benzoyl-4-chlorophenyl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 45372698
N-(2-benzoyl-4-chlorophenyl)-2-[(4-bromophenyl)sulfonyl-ethylamino]acetamide
CID 45372673
N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 1019246
N-(2-benzoyl-4-methylphenyl)-2,5-dichlorobenzamide
CID 23879994

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-[(1-ethoxy-2-oxoethenyl)-methylamino]acetamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-[(1-ethoxy-2-oxoethenyl)-methylamino]acetamide (CID 88844912) is N-(2-benzoyl-4-chlorophenyl)-2-[(1-ethoxy-2-oxoethenyl)-methylamino]acetamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-2-[(1-ethoxy-2-oxoethenyl)-methylamino]acetamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-2-[(1-ethoxy-2-oxoethenyl)-methylamino]acetamide is CCOC(=C=O)N(C)CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-2-[(1-ethoxy-2-oxoethenyl)-methylamino]acetamide?
The InChIKey is NCCKBYRCLGACDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4/c1-3-27-19(13-24)23(2)12-18(25)22-17-10-9-15(21)11-16(17)20(26)14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3,(H,22,25).
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-2-[(1-ethoxy-2-oxoethenyl)-methylamino]acetamide?
N-(2-benzoyl-4-chlorophenyl)-2-[(1-ethoxy-2-oxoethenyl)-methylamino]acetamide has a molecular weight of 386.84 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-2-[(1-ethoxy-2-oxoethenyl)-methylamino]acetamide is sourced from PubChem (CID 88844912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).