2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide

C14H20ClN3O2 — CID 9302931

IUPAC2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClN3O2/c1-3-8-16-13(19)9-18(2)10-14(20)17-12-6-4-11(15)5-7-12/h4-7H,3,8-10H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyHTILFGPEBYOJCQ-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.74
Rot. Bonds7

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

2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide (PubChem CID 9302931) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
PubChem CID9302931
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClN3O2/c1-3-8-16-13(19)9-18(2)10-14(20)17-12-6-4-11(15)5-7-12/h4-7H,3,8-10H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyHTILFGPEBYOJCQ-UHFFFAOYSA-N
XLogP1.74
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-propylacetamide
CID 8816242
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9302973
N,N-dimethyl-4-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]acetyl]amino]benzamide
CID 9302751
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-phenylethyl)acetamide
CID 18078825
N-(4-chlorophenyl)-2-[methyl-[2-oxo-2-(pentan-3-ylamino)ethyl]amino]acetamide
CID 9167444
N-(4-acetylphenyl)-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9167165
2-[[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-methylamino]-N-propylacetamide
CID 18083018
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 9167171
2-[[2-(3,5-dimethylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9302865
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
N-[(4-chlorophenyl)methyl]-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9253245

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide?
The IUPAC name of 2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide (CID 9302931) is 2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)CC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide?
The InChIKey is HTILFGPEBYOJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-3-8-16-13(19)9-18(2)10-14(20)17-12-6-4-11(15)5-7-12/h4-7H,3,8-10H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of 2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide?
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide has a molecular weight of 297.79 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide is sourced from PubChem (CID 9302931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).