2-(2-chlorophenoxy)-N,N-dimethylacetamide

C10H12ClNO2 — CID 28639790

IUPAC2-(2-chlorophenoxy)-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1ccccc1Cl
InChIInChI=1S/C10H12ClNO2/c1-12(2)10(13)7-14-9-6-4-3-5-8(9)11/h3-6H,7H2,1-2H3
InChIKeyPFMRITAPMVECKD-UHFFFAOYSA-N
MW213.66 g/mol
LogP1.81
Rot. Bonds3

About 2-(2-chlorophenoxy)-N,N-dimethylacetamide

2-(2-chlorophenoxy)-N,N-dimethylacetamide (PubChem CID 28639790) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N,N-dimethylacetamide
PubChem CID28639790
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name2-(2-chlorophenoxy)-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1ccccc1Cl
InChIInChI=1S/C10H12ClNO2/c1-12(2)10(13)7-14-9-6-4-3-5-8(9)11/h3-6H,7H2,1-2H3
InChIKeyPFMRITAPMVECKD-UHFFFAOYSA-N
XLogP1.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dichlorophenoxy)-N,N-dimethylacetamide
CID 78765476
2-(2-carbamothioyl-3-chlorophenoxy)-N,N-dimethylacetamide
CID 113277323
2-(2-chlorophenoxy)-N-cyclopentyl-N-methylacetamide
CID 92674739
N-(1-aminopropan-2-yl)-2-(2-chlorophenoxy)-N-methylacetamide;hydrochloride
CID 119583328
2-(2-chlorophenoxy)-N-(5-hydroxypentyl)-N-methylacetamide
CID 107202077
2-(2-chlorophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 78762100
3-[tert-butyl-[2-(2-chlorophenoxy)acetyl]amino]propanoic acid
CID 60826050
2-[butan-2-yl-[2-(2-chlorophenoxy)acetyl]amino]acetic acid
CID 60829928
2-(2-chlorophenoxy)-N-hydroxyacetamide
CID 95562486
4-[[2-(2-chlorophenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 2631997
ethyl 2-[[2-(2-chlorophenoxy)acetyl]-propan-2-ylamino]acetate
CID 61022317
2-(2-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 78762115

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N,N-dimethylacetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N,N-dimethylacetamide (CID 28639790) is 2-(2-chlorophenoxy)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N,N-dimethylacetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N,N-dimethylacetamide is CN(C)C(=O)COc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenoxy)-N,N-dimethylacetamide?
The InChIKey is PFMRITAPMVECKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-12(2)10(13)7-14-9-6-4-3-5-8(9)11/h3-6H,7H2,1-2H3.
What are the key properties of 2-(2-chlorophenoxy)-N,N-dimethylacetamide?
2-(2-chlorophenoxy)-N,N-dimethylacetamide has a molecular weight of 213.66 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N,N-dimethylacetamide is sourced from PubChem (CID 28639790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).