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

C13H17F2NO4 — CID 60682190

IUPAC2-[4-(difluoromethoxy)phenyl]-N,N-bis(2-hydroxyethyl)acetamide
SMILESO=C(Cc1ccc(OC(F)F)cc1)N(CCO)CCO
InChIInChI=1S/C13H17F2NO4/c14-13(15)20-11-3-1-10(2-4-11)9-12(19)16(5-7-17)6-8-18/h1-4,13,17-18H,5-9H2
InChIKeyMWLOPTCPXRFBNM-UHFFFAOYSA-N
MW289.28 g/mol
LogP0.64
Rot. Bonds8

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

2-[4-(difluoromethoxy)phenyl]-N,N-bis(2-hydroxyethyl)acetamide (PubChem CID 60682190) has the molecular formula C13H17F2NO4 and a molecular weight of 289.28 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)phenyl]-N,N-bis(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)phenyl]-N,N-bis(2-hydroxyethyl)acetamide
PubChem CID60682190
Molecular FormulaC13H17F2NO4
Molecular Weight289.28 g/mol
Exact Mass289.11
IUPAC Name2-[4-(difluoromethoxy)phenyl]-N,N-bis(2-hydroxyethyl)acetamide
SMILESO=C(Cc1ccc(OC(F)F)cc1)N(CCO)CCO
InChIInChI=1S/C13H17F2NO4/c14-13(15)20-11-3-1-10(2-4-11)9-12(19)16(5-7-17)6-8-18/h1-4,13,17-18H,5-9H2
InChIKeyMWLOPTCPXRFBNM-UHFFFAOYSA-N
XLogP0.64
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(difluoromethoxy)phenyl]-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 60682400
2-[4-(difluoromethoxy)phenyl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
CID 43572897
N-butyl-2-[4-(difluoromethoxy)phenyl]-N-ethylacetamide
CID 86907972
4-(difluoromethoxy)-N,N-bis(2-hydroxyethyl)benzamide
CID 60653738
2-[4-(difluoromethoxy)phenyl]acetic acid
CID 2774127
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]ethanol
CID 110901993
2-[4-(difluoromethoxy)phenyl]-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 78809159
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
methyl 2-[[2-[4-(difluoromethoxy)phenyl]acetyl]-propan-2-ylamino]acetate
CID 78884783
3-[2-hydroxyethyl-[2-(4-methoxyphenyl)acetyl]amino]-2-methylpropanoic acid
CID 82325211
2-[4-(difluoromethoxy)phenyl]-N-methyl-N-[(2R,3S)-3-methylsulfonylbutan-2-yl]acetamide
CID 95329453

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)phenyl]-N,N-bis(2-hydroxyethyl)acetamide?
The IUPAC name of 2-[4-(difluoromethoxy)phenyl]-N,N-bis(2-hydroxyethyl)acetamide (CID 60682190) is 2-[4-(difluoromethoxy)phenyl]-N,N-bis(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-[4-(difluoromethoxy)phenyl]-N,N-bis(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-[4-(difluoromethoxy)phenyl]-N,N-bis(2-hydroxyethyl)acetamide is O=C(Cc1ccc(OC(F)F)cc1)N(CCO)CCO.
What is the InChIKey of 2-[4-(difluoromethoxy)phenyl]-N,N-bis(2-hydroxyethyl)acetamide?
The InChIKey is MWLOPTCPXRFBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO4/c14-13(15)20-11-3-1-10(2-4-11)9-12(19)16(5-7-17)6-8-18/h1-4,13,17-18H,5-9H2.
What are the key properties of 2-[4-(difluoromethoxy)phenyl]-N,N-bis(2-hydroxyethyl)acetamide?
2-[4-(difluoromethoxy)phenyl]-N,N-bis(2-hydroxyethyl)acetamide has a molecular weight of 289.28 g/mol, XLogP of 0.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)phenyl]-N,N-bis(2-hydroxyethyl)acetamide is sourced from PubChem (CID 60682190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).