N-[2-(4-chlorophenyl)-2-oxoethyl]-2-ethoxyacetamide

C12H14ClNO3 — CID 21290714

IUPACN-[2-(4-chlorophenyl)-2-oxoethyl]-2-ethoxyacetamide
SMILESCCOCC(=O)NCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClNO3/c1-2-17-8-12(16)14-7-11(15)9-3-5-10(13)6-4-9/h3-6H,2,7-8H2,1H3,(H,14,16)
InChIKeyFPNVCLAJAGDBQD-UHFFFAOYSA-N
MW255.70 g/mol
LogP1.68
Rot. Bonds6

About N-[2-(4-chlorophenyl)-2-oxoethyl]-2-ethoxyacetamide

N-[2-(4-chlorophenyl)-2-oxoethyl]-2-ethoxyacetamide (PubChem CID 21290714) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-oxoethyl]-2-ethoxyacetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-oxoethyl]-2-ethoxyacetamide
PubChem CID21290714
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC NameN-[2-(4-chlorophenyl)-2-oxoethyl]-2-ethoxyacetamide
SMILESCCOCC(=O)NCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClNO3/c1-2-17-8-12(16)14-7-11(15)9-3-5-10(13)6-4-9/h3-6H,2,7-8H2,1H3,(H,14,16)
InChIKeyFPNVCLAJAGDBQD-UHFFFAOYSA-N
XLogP1.68
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-ethoxyacetamide
CID 110885506
1-(4-chlorophenyl)-2-(3-ethoxypropylamino)ethanone
CID 82101457
1-(4-chlorophenyl)-3-ethoxypropan-1-one
CID 115601476
N-[2-(4-chlorophenyl)-2-oxoethyl]-2-ethylbutanamide
CID 94278694
(2S)-2-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]propanamide
CID 125485524
3-ethoxy-N-phenacylpropanamide
CID 64991407
N-[2-(4-ethoxyphenyl)-2-oxoethyl]propanamide
CID 94262497
N-[4-(4-butylphenyl)-4-oxobutyl]-2-ethoxyacetamide
CID 58427329
1-[4-(2-aminoethyl)phenyl]-2-ethoxyethanone
CID 116577603
2-butoxy-1-(4-chlorophenyl)ethanone
CID 43801198
N-(2-amino-4-chlorophenyl)-2-ethoxyacetamide
CID 16791800
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-ethoxyacetamide
CID 7518024

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-oxoethyl]-2-ethoxyacetamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-oxoethyl]-2-ethoxyacetamide (CID 21290714) is N-[2-(4-chlorophenyl)-2-oxoethyl]-2-ethoxyacetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-oxoethyl]-2-ethoxyacetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-oxoethyl]-2-ethoxyacetamide is CCOCC(=O)NCC(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-oxoethyl]-2-ethoxyacetamide?
The InChIKey is FPNVCLAJAGDBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3/c1-2-17-8-12(16)14-7-11(15)9-3-5-10(13)6-4-9/h3-6H,2,7-8H2,1H3,(H,14,16).
What are the key properties of N-[2-(4-chlorophenyl)-2-oxoethyl]-2-ethoxyacetamide?
N-[2-(4-chlorophenyl)-2-oxoethyl]-2-ethoxyacetamide has a molecular weight of 255.70 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-oxoethyl]-2-ethoxyacetamide is sourced from PubChem (CID 21290714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).