2-[4-(difluoromethoxy)phenyl]-N-ethyl-N-(2-hydroxyethyl)acetamide

C13H17F2NO3 — CID 60682400

IUPAC2-[4-(difluoromethoxy)phenyl]-N-ethyl-N-(2-hydroxyethyl)acetamide
SMILESCCN(CCO)C(=O)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C13H17F2NO3/c1-2-16(7-8-17)12(18)9-10-3-5-11(6-4-10)19-13(14)15/h3-6,13,17H,2,7-9H2,1H3
InChIKeyZRFGMDSHNQBRRP-UHFFFAOYSA-N
MW273.28 g/mol
LogP1.67
Rot. Bonds7

About 2-[4-(difluoromethoxy)phenyl]-N-ethyl-N-(2-hydroxyethyl)acetamide

2-[4-(difluoromethoxy)phenyl]-N-ethyl-N-(2-hydroxyethyl)acetamide (PubChem CID 60682400) has the molecular formula C13H17F2NO3 and a molecular weight of 273.28 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)phenyl]-N-ethyl-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)phenyl]-N-ethyl-N-(2-hydroxyethyl)acetamide
PubChem CID60682400
Molecular FormulaC13H17F2NO3
Molecular Weight273.28 g/mol
Exact Mass273.12
IUPAC Name2-[4-(difluoromethoxy)phenyl]-N-ethyl-N-(2-hydroxyethyl)acetamide
SMILESCCN(CCO)C(=O)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C13H17F2NO3/c1-2-16(7-8-17)12(18)9-10-3-5-11(6-4-10)19-13(14)15/h3-6,13,17H,2,7-9H2,1H3
InChIKeyZRFGMDSHNQBRRP-UHFFFAOYSA-N
XLogP1.67
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(difluoromethoxy)phenyl]-N,N-bis(2-hydroxyethyl)acetamide
CID 60682190
N-butyl-2-[4-(difluoromethoxy)phenyl]-N-ethylacetamide
CID 86907972
2-[4-(difluoromethoxy)phenyl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
CID 43572897
2-[4-(difluoromethoxy)phenyl]-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 78809159
4-(difluoromethoxy)-N,N-bis(2-hydroxyethyl)benzamide
CID 60653738
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]ethanol
CID 110901993
2-[4-(difluoromethoxy)phenyl]acetic acid
CID 2774127
2-[4-(difluoromethoxy)phenyl]-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide
CID 38688648
N-ethyl-N-(2-hydroxyethyl)-2-(3-methoxy-4-methylphenyl)acetamide
CID 60701961
N-[(4-bromophenyl)methyl]-2-[4-(difluoromethoxy)phenyl]-N-methylacetamide
CID 78807837
N-(3-amino-4-methylpentyl)-2-[4-(difluoromethoxy)phenyl]-N-methylacetamide;hydrochloride
CID 119658985
3-[2-hydroxyethyl-[2-(4-methoxyphenyl)acetyl]amino]-2-methylpropanoic acid
CID 82325211

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)phenyl]-N-ethyl-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-[4-(difluoromethoxy)phenyl]-N-ethyl-N-(2-hydroxyethyl)acetamide (CID 60682400) is 2-[4-(difluoromethoxy)phenyl]-N-ethyl-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-[4-(difluoromethoxy)phenyl]-N-ethyl-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-[4-(difluoromethoxy)phenyl]-N-ethyl-N-(2-hydroxyethyl)acetamide is CCN(CCO)C(=O)Cc1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[4-(difluoromethoxy)phenyl]-N-ethyl-N-(2-hydroxyethyl)acetamide?
The InChIKey is ZRFGMDSHNQBRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO3/c1-2-16(7-8-17)12(18)9-10-3-5-11(6-4-10)19-13(14)15/h3-6,13,17H,2,7-9H2,1H3.
What are the key properties of 2-[4-(difluoromethoxy)phenyl]-N-ethyl-N-(2-hydroxyethyl)acetamide?
2-[4-(difluoromethoxy)phenyl]-N-ethyl-N-(2-hydroxyethyl)acetamide has a molecular weight of 273.28 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)phenyl]-N-ethyl-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 60682400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).