2-acetamido-N-[(4-chloro-2-ethoxyphenyl)methyl]acetamide

C13H17ClN2O3 — CID 75387694

IUPAC2-acetamido-N-[(4-chloro-2-ethoxyphenyl)methyl]acetamide
SMILESCCOc1cc(Cl)ccc1CNC(=O)CNC(C)=O
InChIInChI=1S/C13H17ClN2O3/c1-3-19-12-6-11(14)5-4-10(12)7-16-13(18)8-15-9(2)17/h4-6H,3,7-8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyKDIVXKANSTVFMO-UHFFFAOYSA-N
MW284.74 g/mol
LogP1.49
Rot. Bonds6

About 2-acetamido-N-[(4-chloro-2-ethoxyphenyl)methyl]acetamide

2-acetamido-N-[(4-chloro-2-ethoxyphenyl)methyl]acetamide (PubChem CID 75387694) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is 2-acetamido-N-[(4-chloro-2-ethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-acetamido-N-[(4-chloro-2-ethoxyphenyl)methyl]acetamide
PubChem CID75387694
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name2-acetamido-N-[(4-chloro-2-ethoxyphenyl)methyl]acetamide
SMILESCCOc1cc(Cl)ccc1CNC(=O)CNC(C)=O
InChIInChI=1S/C13H17ClN2O3/c1-3-19-12-6-11(14)5-4-10(12)7-16-13(18)8-15-9(2)17/h4-6H,3,7-8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyKDIVXKANSTVFMO-UHFFFAOYSA-N
XLogP1.49
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chloro-2-ethoxyphenyl)methyl]-2-pyridin-3-ylacetamide
CID 75387696
3-[(4-chloro-2-ethoxyphenyl)methylamino]-2-methyl-3-oxopropanoic acid
CID 122066220
1-[(4-chloro-2-ethoxyphenyl)methyl]-3-(1,3-thiazol-4-ylmethyl)urea
CID 75431621
N-[(4-chloro-2-methylphenyl)methyl]acetamide
CID 67968204
(2S,4S)-N-[(4-chloro-2-ethoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120639907
N-[(5-chloro-4-ethoxy-2-methylphenyl)methyl]acetamide
CID 110781893
1-[(4-chloro-2-ethoxyphenyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122007640
N-[(4-chloro-2-ethoxyphenyl)methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride
CID 120955148
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(ethylamino)acetamide
CID 115157863
4-chloro-N-[(2-ethoxyphenyl)methyl]-2-fluorobenzamide
CID 94472484
2-(4-cyano-2-ethoxyphenoxy)-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 7992879
2-acetamido-N-[(2-fluorophenyl)methyl]acetamide
CID 110686999

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[(4-chloro-2-ethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-acetamido-N-[(4-chloro-2-ethoxyphenyl)methyl]acetamide (CID 75387694) is 2-acetamido-N-[(4-chloro-2-ethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-acetamido-N-[(4-chloro-2-ethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-acetamido-N-[(4-chloro-2-ethoxyphenyl)methyl]acetamide is CCOc1cc(Cl)ccc1CNC(=O)CNC(C)=O.
What is the InChIKey of 2-acetamido-N-[(4-chloro-2-ethoxyphenyl)methyl]acetamide?
The InChIKey is KDIVXKANSTVFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-3-19-12-6-11(14)5-4-10(12)7-16-13(18)8-15-9(2)17/h4-6H,3,7-8H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 2-acetamido-N-[(4-chloro-2-ethoxyphenyl)methyl]acetamide?
2-acetamido-N-[(4-chloro-2-ethoxyphenyl)methyl]acetamide has a molecular weight of 284.74 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[(4-chloro-2-ethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 75387694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).