N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2,2-difluoroacetamide

C11H13F2NO3 — CID 103513891

IUPACN-[4-ethoxy-3-(hydroxymethyl)phenyl]-2,2-difluoroacetamide
SMILESCCOc1ccc(NC(=O)C(F)F)cc1CO
InChIInChI=1S/C11H13F2NO3/c1-2-17-9-4-3-8(5-7(9)6-15)14-11(16)10(12)13/h3-5,10,15H,2,6H2,1H3,(H,14,16)
InChIKeyBYDRXVPMKAPPHL-UHFFFAOYSA-N
MW245.22 g/mol
LogP1.78
Rot. Bonds5

About N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2,2-difluoroacetamide

N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2,2-difluoroacetamide (PubChem CID 103513891) has the molecular formula C11H13F2NO3 and a molecular weight of 245.22 g/mol. Its IUPAC name is N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[4-ethoxy-3-(hydroxymethyl)phenyl]-2,2-difluoroacetamide
PubChem CID103513891
Molecular FormulaC11H13F2NO3
Molecular Weight245.22 g/mol
Exact Mass245.09
IUPAC NameN-[4-ethoxy-3-(hydroxymethyl)phenyl]-2,2-difluoroacetamide
SMILESCCOc1ccc(NC(=O)C(F)F)cc1CO
InChIInChI=1S/C11H13F2NO3/c1-2-17-9-4-3-8(5-7(9)6-15)14-11(16)10(12)13/h3-5,10,15H,2,6H2,1H3,(H,14,16)
InChIKeyBYDRXVPMKAPPHL-UHFFFAOYSA-N
XLogP1.78
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylpropanamide
CID 61015215
2-amino-N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
CID 54880153
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 79201568
2-bromo-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-methylbutanamide
CID 54880127
N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
CID 61015482
ethyl N-[4-ethoxy-3-(hydroxymethyl)phenyl]carbamate
CID 54903026
3-[4-ethoxy-3-(hydroxymethyl)anilino]-3-oxopropanoic acid
CID 62231238
(2S)-2-amino-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-methylsulfanylbutanamide
CID 61164985
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide
CID 54903166
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-(propan-2-ylamino)acetamide
CID 54880178
3-chloro-N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
CID 54880126
N-[3-(chloromethyl)-4-ethoxyphenyl]-2-methylpropanamide
CID 114302916

Frequently Asked Questions

What is the IUPAC name of N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2,2-difluoroacetamide?
The IUPAC name of N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2,2-difluoroacetamide (CID 103513891) is N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2,2-difluoroacetamide.
What is the SMILES notation for N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2,2-difluoroacetamide?
The canonical SMILES for N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2,2-difluoroacetamide is CCOc1ccc(NC(=O)C(F)F)cc1CO.
What is the InChIKey of N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2,2-difluoroacetamide?
The InChIKey is BYDRXVPMKAPPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO3/c1-2-17-9-4-3-8(5-7(9)6-15)14-11(16)10(12)13/h3-5,10,15H,2,6H2,1H3,(H,14,16).
What are the key properties of N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2,2-difluoroacetamide?
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2,2-difluoroacetamide has a molecular weight of 245.22 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2,2-difluoroacetamide is sourced from PubChem (CID 103513891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).