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

C19H20ClN3O3 — CID 9167165

IUPACN-(4-acetylphenyl)-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCC(=O)c1ccc(NC(=O)CN(C)CC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H20ClN3O3/c1-13(24)14-3-7-16(8-4-14)21-18(25)11-23(2)12-19(26)22-17-9-5-15(20)6-10-17/h3-10H,11-12H2,1-2H3,(H,21,25)(H,22,26)
InChIKeySDAQLRSJIJUUDD-UHFFFAOYSA-N
MW373.84 g/mol
LogP3.05
Rot. Bonds7

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

N-(4-acetylphenyl)-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetamide (PubChem CID 9167165) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetamide
PubChem CID9167165
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC NameN-(4-acetylphenyl)-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCC(=O)c1ccc(NC(=O)CN(C)CC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H20ClN3O3/c1-13(24)14-3-7-16(8-4-14)21-18(25)11-23(2)12-19(26)22-17-9-5-15(20)6-10-17/h3-10H,11-12H2,1-2H3,(H,21,25)(H,22,26)
InChIKeySDAQLRSJIJUUDD-UHFFFAOYSA-N
XLogP3.05
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-acetylanilino)-2-oxoethyl]-methylamino]acetic acid
CID 43442578
N-(4-acetylphenyl)-2-[2-aminoethyl(methyl)amino]acetamide
CID 62686648
propan-2-yl 4-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzoate
CID 9166836
N-(4-acetylphenyl)-2-[(2-chlorophenyl)methyl-methylamino]acetamide
CID 9057922
2-[[2-(4-acetylphenoxy)acetyl]-methylamino]-N-(4-chlorophenyl)acetamide
CID 9417469
N-(4-chlorophenyl)-2-[methyl-[2-oxo-2-(pentan-3-ylamino)ethyl]amino]acetamide
CID 9167444
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9302931
N-(4-acetylphenyl)-N'-(4-chlorophenyl)oxamide
CID 108514724
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 9167171
N-(4-chlorophenyl)-2-[methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]acetamide
CID 8816054
N-(4-chlorophenyl)-2-[methyl-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]acetamide
CID 8816582
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(4-chlorophenyl)acetamide
CID 9166949

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetamide (CID 9167165) is N-(4-acetylphenyl)-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetamide is CC(=O)c1ccc(NC(=O)CN(C)CC(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetamide?
The InChIKey is SDAQLRSJIJUUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c1-13(24)14-3-7-16(8-4-14)21-18(25)11-23(2)12-19(26)22-17-9-5-15(20)6-10-17/h3-10H,11-12H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of N-(4-acetylphenyl)-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetamide?
N-(4-acetylphenyl)-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetamide has a molecular weight of 373.84 g/mol, XLogP of 3.05, 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-(4-chloroanilino)-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 9167165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).