N-[1-(3,4-difluorophenyl)-2,2-difluoro-1-[5-(hydroxymethyl)-2-pyridinyl]ethyl]acetamide

C16H14F4N2O2 — CID 67068035

IUPACN-[1-(3,4-difluorophenyl)-2,2-difluoro-1-[5-(hydroxymethyl)-2-pyridinyl]ethyl]acetamide
SMILESCC(=O)NC(c1ccc(F)c(F)c1)(c1ccc(CO)cn1)C(F)F
InChIInChI=1S/C16H14F4N2O2/c1-9(24)22-16(15(19)20,11-3-4-12(17)13(18)6-11)14-5-2-10(8-23)7-21-14/h2-7,15,23H,8H2,1H3,(H,22,24)
InChIKeyFULMHOKTJNRUTD-UHFFFAOYSA-N
MW342.29 g/mol
LogP2.50
Rot. Bonds5

About N-[1-(3,4-difluorophenyl)-2,2-difluoro-1-[5-(hydroxymethyl)-2-pyridinyl]ethyl]acetamide

N-[1-(3,4-difluorophenyl)-2,2-difluoro-1-[5-(hydroxymethyl)-2-pyridinyl]ethyl]acetamide (PubChem CID 67068035) has the molecular formula C16H14F4N2O2 and a molecular weight of 342.29 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)-2,2-difluoro-1-[5-(hydroxymethyl)-2-pyridinyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)-2,2-difluoro-1-[5-(hydroxymethyl)-2-pyridinyl]ethyl]acetamide
PubChem CID67068035
Molecular FormulaC16H14F4N2O2
Molecular Weight342.29 g/mol
Exact Mass342.10
IUPAC NameN-[1-(3,4-difluorophenyl)-2,2-difluoro-1-[5-(hydroxymethyl)-2-pyridinyl]ethyl]acetamide
SMILESCC(=O)NC(c1ccc(F)c(F)c1)(c1ccc(CO)cn1)C(F)F
InChIInChI=1S/C16H14F4N2O2/c1-9(24)22-16(15(19)20,11-3-4-12(17)13(18)6-11)14-5-2-10(8-23)7-21-14/h2-7,15,23H,8H2,1H3,(H,22,24)
InChIKeyFULMHOKTJNRUTD-UHFFFAOYSA-N
XLogP2.50
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.29
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-(3,4-difluorophenyl)-2,2-difluoro-1-[5-(hydroxymethyl)-2-pyridinyl]ethyl]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

(S)-N-(1-cyanocyclopropyl)-4-fluoro-4-methyl-2-((S)-2,2,2-trifluoro-1-(4-(5-(1-hydroxycyclopropyl)pyridin-2-yl)phenyl)ethylamino)pentanamide
CID 46231428
2-(4-(Ethyl(pyridin-2-ylmethyl)amino)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 11632271
2-[4-[Butyl(pyridine-2-ylmethyl)amino]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 16049407
1-(4-Fluoro-phenyl)-4-(5-fluoro-pyridin-2-yl)-4-piperazin-1-yl-butan-1-ol
CID 44298902
4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoropyridin-2-yl]-N-[3-fluoro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 57770450
4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoropyridin-2-yl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 57770496
[5-[(4-Fluorophenyl)methylamino]-2-pyridinyl]methanol
CID 12640240
(6-Phenylpyridin-3-yl)methanol
CID 22254216
1-[2-Hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-(pyridin-2-ylmethyl)urea
CID 53591355
N1-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-N2-(pyridin-3-yl)oxalamide
CID 56765499
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 56783587
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-4-pyridin-2-ylbutanamide
CID 72002747

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)-2,2-difluoro-1-[5-(hydroxymethyl)-2-pyridinyl]ethyl]acetamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)-2,2-difluoro-1-[5-(hydroxymethyl)-2-pyridinyl]ethyl]acetamide (CID 67068035) is N-[1-(3,4-difluorophenyl)-2,2-difluoro-1-[5-(hydroxymethyl)-2-pyridinyl]ethyl]acetamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)-2,2-difluoro-1-[5-(hydroxymethyl)-2-pyridinyl]ethyl]acetamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)-2,2-difluoro-1-[5-(hydroxymethyl)-2-pyridinyl]ethyl]acetamide is CC(=O)NC(c1ccc(F)c(F)c1)(c1ccc(CO)cn1)C(F)F.
What is the InChIKey of N-[1-(3,4-difluorophenyl)-2,2-difluoro-1-[5-(hydroxymethyl)-2-pyridinyl]ethyl]acetamide?
The InChIKey is FULMHOKTJNRUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F4N2O2/c1-9(24)22-16(15(19)20,11-3-4-12(17)13(18)6-11)14-5-2-10(8-23)7-21-14/h2-7,15,23H,8H2,1H3,(H,22,24).
What are the key properties of N-[1-(3,4-difluorophenyl)-2,2-difluoro-1-[5-(hydroxymethyl)-2-pyridinyl]ethyl]acetamide?
N-[1-(3,4-difluorophenyl)-2,2-difluoro-1-[5-(hydroxymethyl)-2-pyridinyl]ethyl]acetamide has a molecular weight of 342.29 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)-2,2-difluoro-1-[5-(hydroxymethyl)-2-pyridinyl]ethyl]acetamide is sourced from PubChem (CID 67068035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).