2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-methylamino]-N-ethylacetamide

C14H19ClN2O2 — CID 62037462

IUPAC2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)C(C)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O2/c1-4-16-13(18)9-17(3)10(2)14(19)11-5-7-12(15)8-6-11/h5-8,10H,4,9H2,1-3H3,(H,16,18)
InChIKeyJRSSNQOPVDQICH-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.98
Rot. Bonds6

About 2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-methylamino]-N-ethylacetamide

2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-methylamino]-N-ethylacetamide (PubChem CID 62037462) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-methylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-methylamino]-N-ethylacetamide
PubChem CID62037462
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)C(C)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O2/c1-4-16-13(18)9-17(3)10(2)14(19)11-5-7-12(15)8-6-11/h5-8,10H,4,9H2,1-3H3,(H,16,18)
InChIKeyJRSSNQOPVDQICH-UHFFFAOYSA-N
XLogP1.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-ethylamino]-N-ethylacetamide
CID 62031823
2-[[1-(2,4-dichlorophenyl)-1-oxopropan-2-yl]-methylamino]-N-ethylacetamide
CID 62036106
2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-methylamino]acetamide
CID 62052939
2-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]-methylamino]-N-propylacetamide
CID 62037415
2-[[1-(3-chlorophenyl)-1-oxopropan-2-yl]-methylamino]-N-propylacetamide
CID 62037610
1-(4-chlorophenyl)-2-[methyl(pentyl)amino]propan-1-one
CID 43796020
2-[[1-(4-bromophenyl)-1-oxopropan-2-yl]-ethylamino]-N-ethylacetamide
CID 60680295
2-[1-(2-chlorophenyl)ethyl-methylamino]-N-ethylacetamide
CID 60505315
1-(4-chlorophenyl)-2-[methyl(2-methylbutan-2-yl)amino]propan-1-one
CID 63964851
2-[[1-(4-methoxyphenyl)-1-oxopropan-2-yl]-methylamino]-N-propan-2-ylacetamide
CID 60681805
4-chloro-N-[1-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55368558
1-(4-chlorophenyl)-2-(ethylamino)propan-1-one;hydrochloride
CID 131851401

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-methylamino]-N-ethylacetamide?
The IUPAC name of 2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-methylamino]-N-ethylacetamide (CID 62037462) is 2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-methylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-methylamino]-N-ethylacetamide?
The canonical SMILES for 2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-methylamino]-N-ethylacetamide is CCNC(=O)CN(C)C(C)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-methylamino]-N-ethylacetamide?
The InChIKey is JRSSNQOPVDQICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-4-16-13(18)9-17(3)10(2)14(19)11-5-7-12(15)8-6-11/h5-8,10H,4,9H2,1-3H3,(H,16,18).
What are the key properties of 2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-methylamino]-N-ethylacetamide?
2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-methylamino]-N-ethylacetamide has a molecular weight of 282.77 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-methylamino]-N-ethylacetamide is sourced from PubChem (CID 62037462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).