2-(3-chlorophenoxy)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide

C13H18ClNO3 — CID 43573280

IUPAC2-(3-chlorophenoxy)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
SMILESCC(C)N(CCO)C(=O)COc1cccc(Cl)c1
InChIInChI=1S/C13H18ClNO3/c1-10(2)15(6-7-16)13(17)9-18-12-5-3-4-11(14)8-12/h3-5,8,10,16H,6-7,9H2,1-2H3
InChIKeyQFPRCFXTFZZSPB-UHFFFAOYSA-N
MW271.74 g/mol
LogP1.95
Rot. Bonds6

About 2-(3-chlorophenoxy)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide

2-(3-chlorophenoxy)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide (PubChem CID 43573280) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
PubChem CID43573280
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Name2-(3-chlorophenoxy)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
SMILESCC(C)N(CCO)C(=O)COc1cccc(Cl)c1
InChIInChI=1S/C13H18ClNO3/c1-10(2)15(6-7-16)13(17)9-18-12-5-3-4-11(14)8-12/h3-5,8,10,16H,6-7,9H2,1-2H3
InChIKeyQFPRCFXTFZZSPB-UHFFFAOYSA-N
XLogP1.95
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-bromopropan-2-yl)-2-(3-chlorophenoxy)-N-methylacetamide
CID 104555981
2-(4-chloro-3-methylphenoxy)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
CID 61039684
N-(2-hydroxyethyl)-3-(3-methylphenoxy)-N-propan-2-ylpropanamide
CID 43573145
3-(3-aminophenoxy)-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide
CID 61094495
2-[[2-(3-chlorophenoxy)acetyl]-[(4-chlorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 132667171
2-[2-(3-chlorophenoxy)ethyl-propan-2-ylamino]acetic acid
CID 60838792
lithium 2-(3-chlorophenoxy)acetate
CID 19205694
2-[[2-(3-chlorophenoxy)acetyl]amino]propanoic acid
CID 43239395
(2S)-2-[[2-(3-chlorophenoxy)acetyl]-[(3-chlorophenyl)methyl]amino]-N-(2-methylpropyl)propanamide
CID 100718707
3-[[2-(3,4-dichlorophenoxy)acetyl]-propan-2-ylamino]propanoic acid
CID 60831758
ethyl 2-[2-(3-chlorophenoxy)ethyl-propan-2-ylamino]acetate
CID 62027570
4-[[2-(3-fluorophenoxy)acetyl]-propan-2-ylamino]butanoic acid
CID 60827253

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide (CID 43573280) is 2-(3-chlorophenoxy)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide is CC(C)N(CCO)C(=O)COc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide?
The InChIKey is QFPRCFXTFZZSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-10(2)15(6-7-16)13(17)9-18-12-5-3-4-11(14)8-12/h3-5,8,10,16H,6-7,9H2,1-2H3.
What are the key properties of 2-(3-chlorophenoxy)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide?
2-(3-chlorophenoxy)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide has a molecular weight of 271.74 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 43573280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).