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

C14H18Cl2N2O2 — CID 62036106

IUPAC2-[[1-(2,4-dichlorophenyl)-1-oxopropan-2-yl]-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)C(C)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2N2O2/c1-4-17-13(19)8-18(3)9(2)14(20)11-6-5-10(15)7-12(11)16/h5-7,9H,4,8H2,1-3H3,(H,17,19)
InChIKeyVCKXHMWVXKSBLR-UHFFFAOYSA-N
MW317.22 g/mol
LogP2.63
Rot. Bonds6

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

2-[[1-(2,4-dichlorophenyl)-1-oxopropan-2-yl]-methylamino]-N-ethylacetamide (PubChem CID 62036106) has the molecular formula C14H18Cl2N2O2 and a molecular weight of 317.22 g/mol. Its IUPAC name is 2-[[1-(2,4-dichlorophenyl)-1-oxopropan-2-yl]-methylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[[1-(2,4-dichlorophenyl)-1-oxopropan-2-yl]-methylamino]-N-ethylacetamide
PubChem CID62036106
Molecular FormulaC14H18Cl2N2O2
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC Name2-[[1-(2,4-dichlorophenyl)-1-oxopropan-2-yl]-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)C(C)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2N2O2/c1-4-17-13(19)8-18(3)9(2)14(20)11-6-5-10(15)7-12(11)16/h5-7,9H,4,8H2,1-3H3,(H,17,19)
InChIKeyVCKXHMWVXKSBLR-UHFFFAOYSA-N
XLogP2.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-methylamino]-N-ethylacetamide
CID 62037462
1-(2,4-dichlorophenyl)-2-[methyl(pentyl)amino]propan-1-one
CID 43796048
2-amino-4-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide
CID 61115646
2-[[1-(3-chlorophenyl)-1-oxopropan-2-yl]-methylamino]-N-propylacetamide
CID 62037610
4-amino-2-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide
CID 61115647
N-(2-acetamidoethyl)-2-[1-(2,4-dichlorophenyl)ethyl-methylamino]acetamide
CID 47023383
2-[1-(2-chlorophenyl)ethyl-methylamino]-N-ethylacetamide
CID 60505315
1-(2,4-dichlorophenyl)-2-[ethyl(2-methoxyethyl)amino]propan-1-one
CID 61446505
1-(2,4-dichlorophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]propan-1-one
CID 62052399
2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-ethylamino]-N-ethylacetamide
CID 62031823
2-[cyclopropylmethyl(ethyl)amino]-1-(2,4-dichlorophenyl)propan-1-one
CID 63957045
2-[cyclopentyl(ethyl)amino]-1-(2,4-dichlorophenyl)propan-1-one
CID 43796309

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,4-dichlorophenyl)-1-oxopropan-2-yl]-methylamino]-N-ethylacetamide?
The IUPAC name of 2-[[1-(2,4-dichlorophenyl)-1-oxopropan-2-yl]-methylamino]-N-ethylacetamide (CID 62036106) is 2-[[1-(2,4-dichlorophenyl)-1-oxopropan-2-yl]-methylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[[1-(2,4-dichlorophenyl)-1-oxopropan-2-yl]-methylamino]-N-ethylacetamide?
The canonical SMILES for 2-[[1-(2,4-dichlorophenyl)-1-oxopropan-2-yl]-methylamino]-N-ethylacetamide is CCNC(=O)CN(C)C(C)C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[[1-(2,4-dichlorophenyl)-1-oxopropan-2-yl]-methylamino]-N-ethylacetamide?
The InChIKey is VCKXHMWVXKSBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2/c1-4-17-13(19)8-18(3)9(2)14(20)11-6-5-10(15)7-12(11)16/h5-7,9H,4,8H2,1-3H3,(H,17,19).
What are the key properties of 2-[[1-(2,4-dichlorophenyl)-1-oxopropan-2-yl]-methylamino]-N-ethylacetamide?
2-[[1-(2,4-dichlorophenyl)-1-oxopropan-2-yl]-methylamino]-N-ethylacetamide has a molecular weight of 317.22 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,4-dichlorophenyl)-1-oxopropan-2-yl]-methylamino]-N-ethylacetamide is sourced from PubChem (CID 62036106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).