N-(4-acetylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]propanamide

C20H22ClN3O3 — CID 4876208

IUPACN-(4-acetylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]propanamide
SMILESCC(=O)c1ccc(NC(=O)C(C)N(C)CC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C20H22ClN3O3/c1-13(20(27)22-16-10-8-15(9-11-16)14(2)25)24(3)12-19(26)23-18-7-5-4-6-17(18)21/h4-11,13H,12H2,1-3H3,(H,22,27)(H,23,26)
InChIKeyYWDUXZJJTZDPSG-UHFFFAOYSA-N
MW387.87 g/mol
LogP3.44
Rot. Bonds7

About N-(4-acetylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]propanamide

N-(4-acetylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]propanamide (PubChem CID 4876208) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]propanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]propanamide
PubChem CID4876208
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC NameN-(4-acetylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]propanamide
SMILESCC(=O)c1ccc(NC(=O)C(C)N(C)CC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C20H22ClN3O3/c1-13(20(27)22-16-10-8-15(9-11-16)14(2)25)24(3)12-19(26)23-18-7-5-4-6-17(18)21/h4-11,13H,12H2,1-3H3,(H,22,27)(H,23,26)
InChIKeyYWDUXZJJTZDPSG-UHFFFAOYSA-N
XLogP3.44
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]propanamide?
The IUPAC name of N-(4-acetylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]propanamide (CID 4876208) is N-(4-acetylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]propanamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]propanamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]propanamide is CC(=O)c1ccc(NC(=O)C(C)N(C)CC(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]propanamide?
The InChIKey is YWDUXZJJTZDPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c1-13(20(27)22-16-10-8-15(9-11-16)14(2)25)24(3)12-19(26)23-18-7-5-4-6-17(18)21/h4-11,13H,12H2,1-3H3,(H,22,27)(H,23,26).
What are the key properties of N-(4-acetylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]propanamide?
N-(4-acetylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]propanamide has a molecular weight of 387.87 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]propanamide is sourced from PubChem (CID 4876208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).