2-(cyclopropylmethoxy)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]acetamide

C14H17F2NO3 — CID 111451344

IUPAC2-(cyclopropylmethoxy)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]acetamide
SMILESO=C(COCC1CC1)NCC(O)c1c(F)cccc1F
InChIInChI=1S/C14H17F2NO3/c15-10-2-1-3-11(16)14(10)12(18)6-17-13(19)8-20-7-9-4-5-9/h1-3,9,12,18H,4-8H2,(H,17,19)
InChIKeyKMSMFZXAHZQTTB-UHFFFAOYSA-N
MW285.29 g/mol
LogP1.54
Rot. Bonds7

About 2-(cyclopropylmethoxy)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]acetamide

2-(cyclopropylmethoxy)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]acetamide (PubChem CID 111451344) has the molecular formula C14H17F2NO3 and a molecular weight of 285.29 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]acetamide
PubChem CID111451344
Molecular FormulaC14H17F2NO3
Molecular Weight285.29 g/mol
Exact Mass285.12
IUPAC Name2-(cyclopropylmethoxy)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]acetamide
SMILESO=C(COCC1CC1)NCC(O)c1c(F)cccc1F
InChIInChI=1S/C14H17F2NO3/c15-10-2-1-3-11(16)14(10)12(18)6-17-13(19)8-20-7-9-4-5-9/h1-3,9,12,18H,4-8H2,(H,17,19)
InChIKeyKMSMFZXAHZQTTB-UHFFFAOYSA-N
XLogP1.54
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(cyclopropylmethoxy)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-(cyclopropylmethoxy)acetamide
CID 111450934
2-(cyclopropylmethoxy)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]benzamide
CID 111451224
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]cyclohexanecarboxamide
CID 111451652
N-(2-benzyl-3-methylbutyl)-2-(cyclopropylmethoxy)acetamide
CID 119045232
N-(2-amino-2-phenylethyl)-2-(cyclopropylmethoxy)acetamide;hydrochloride
CID 119529587
2-[[[2-(cyclopropylmethoxy)acetyl]amino]methyl]-3-(3-methylphenyl)propanoic acid
CID 119243030
(Z)-3-cyclopropyl-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]but-2-enamide
CID 111451278
1-(2,6-difluorophenyl)-2-(oxan-4-ylmethylamino)ethanol
CID 63711662
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 111452358
2-bromo-N-[2-(cyclopropylmethoxy)-2-(2-fluorophenyl)ethyl]acetamide
CID 102548633
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-4-fluorobenzamide
CID 111451432
1-(cyclopropylmethoxy)-3-(2-fluorophenyl)propan-2-one
CID 43799215

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]acetamide?
The IUPAC name of 2-(cyclopropylmethoxy)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]acetamide (CID 111451344) is 2-(cyclopropylmethoxy)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]acetamide.
What is the SMILES notation for 2-(cyclopropylmethoxy)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]acetamide?
The canonical SMILES for 2-(cyclopropylmethoxy)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]acetamide is O=C(COCC1CC1)NCC(O)c1c(F)cccc1F.
What is the InChIKey of 2-(cyclopropylmethoxy)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]acetamide?
The InChIKey is KMSMFZXAHZQTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO3/c15-10-2-1-3-11(16)14(10)12(18)6-17-13(19)8-20-7-9-4-5-9/h1-3,9,12,18H,4-8H2,(H,17,19).
What are the key properties of 2-(cyclopropylmethoxy)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]acetamide?
2-(cyclopropylmethoxy)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]acetamide has a molecular weight of 285.29 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]acetamide is sourced from PubChem (CID 111451344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).