N-[4-(2,4-difluorophenyl)oxan-4-yl]-3-[(2S)-oxolan-2-yl]propanamide

C18H23F2NO3 — CID 97083131

IUPACN-[4-(2,4-difluorophenyl)oxan-4-yl]-3-[(2S)-oxolan-2-yl]propanamide
SMILESO=C(CC[C@@H]1CCCO1)NC1(c2ccc(F)cc2F)CCOCC1
InChIInChI=1S/C18H23F2NO3/c19-13-3-5-15(16(20)12-13)18(7-10-23-11-8-18)21-17(22)6-4-14-2-1-9-24-14/h3,5,12,14H,1-2,4,6-11H2,(H,21,22)/t14-/m0/s1
InChIKeyUZHKTDLGKIRGKI-AWEZNQCLSA-N
MW339.38 g/mol
LogP3.05
Rot. Bonds5

About N-[4-(2,4-difluorophenyl)oxan-4-yl]-3-[(2S)-oxolan-2-yl]propanamide

N-[4-(2,4-difluorophenyl)oxan-4-yl]-3-[(2S)-oxolan-2-yl]propanamide (PubChem CID 97083131) has the molecular formula C18H23F2NO3 and a molecular weight of 339.38 g/mol. Its IUPAC name is N-[4-(2,4-difluorophenyl)oxan-4-yl]-3-[(2S)-oxolan-2-yl]propanamide.

Molecular Properties

Compound NameN-[4-(2,4-difluorophenyl)oxan-4-yl]-3-[(2S)-oxolan-2-yl]propanamide
PubChem CID97083131
Molecular FormulaC18H23F2NO3
Molecular Weight339.38 g/mol
Exact Mass339.16
IUPAC NameN-[4-(2,4-difluorophenyl)oxan-4-yl]-3-[(2S)-oxolan-2-yl]propanamide
SMILESO=C(CC[C@@H]1CCCO1)NC1(c2ccc(F)cc2F)CCOCC1
InChIInChI=1S/C18H23F2NO3/c19-13-3-5-15(16(20)12-13)18(7-10-23-11-8-18)21-17(22)6-4-14-2-1-9-24-14/h3,5,12,14H,1-2,4,6-11H2,(H,21,22)/t14-/m0/s1
InChIKeyUZHKTDLGKIRGKI-AWEZNQCLSA-N
XLogP3.05
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-chlorophenyl)oxan-4-yl]-3-[(2R)-oxolan-2-yl]propanamide
CID 95286395
2-[3-[[4-(2,4-difluorophenyl)oxan-4-yl]amino]-3-oxopropyl]benzoic acid
CID 120551325
4-[[1-(2,4-difluorophenyl)cyclopropyl]amino]-4-oxobutanoic acid
CID 110481806
N-[4-(2,4-difluorophenyl)oxan-4-yl]-5-methylfuran-3-carboxamide
CID 136534009
N-[4-(aminomethyl)oxan-4-yl]-3-(oxolan-2-yl)propanamide
CID 106297142
(2R)-N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-hydroxy-2-phenylacetamide
CID 97248230
N-[cyclopropyl-(2,5-difluorophenyl)methyl]-3-(oxolan-2-yl)propanamide
CID 71993437
3-cyano-N-[4-(2,4-difluorophenyl)oxan-4-yl]benzamide
CID 75392620
N-(2-bromo-5-fluorophenyl)-3-(oxan-2-yl)propanamide
CID 113255462
methyl (2S)-2-(2,5-difluorophenyl)-2-[3-[(2R)-oxolan-2-yl]propanoylamino]acetate
CID 95383404
N-[4-fluoro-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-(oxolan-2-yl)propanamide
CID 82017155
1-[1-(2,4-difluorophenyl)cyclobutyl]-3-[(2S)-oxan-2-yl]oxyurea
CID 99718676

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-difluorophenyl)oxan-4-yl]-3-[(2S)-oxolan-2-yl]propanamide?
The IUPAC name of N-[4-(2,4-difluorophenyl)oxan-4-yl]-3-[(2S)-oxolan-2-yl]propanamide (CID 97083131) is N-[4-(2,4-difluorophenyl)oxan-4-yl]-3-[(2S)-oxolan-2-yl]propanamide.
What is the SMILES notation for N-[4-(2,4-difluorophenyl)oxan-4-yl]-3-[(2S)-oxolan-2-yl]propanamide?
The canonical SMILES for N-[4-(2,4-difluorophenyl)oxan-4-yl]-3-[(2S)-oxolan-2-yl]propanamide is O=C(CC[C@@H]1CCCO1)NC1(c2ccc(F)cc2F)CCOCC1.
What is the InChIKey of N-[4-(2,4-difluorophenyl)oxan-4-yl]-3-[(2S)-oxolan-2-yl]propanamide?
The InChIKey is UZHKTDLGKIRGKI-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23F2NO3/c19-13-3-5-15(16(20)12-13)18(7-10-23-11-8-18)21-17(22)6-4-14-2-1-9-24-14/h3,5,12,14H,1-2,4,6-11H2,(H,21,22)/t14-/m0/s1.
What are the key properties of N-[4-(2,4-difluorophenyl)oxan-4-yl]-3-[(2S)-oxolan-2-yl]propanamide?
N-[4-(2,4-difluorophenyl)oxan-4-yl]-3-[(2S)-oxolan-2-yl]propanamide has a molecular weight of 339.38 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-difluorophenyl)oxan-4-yl]-3-[(2S)-oxolan-2-yl]propanamide is sourced from PubChem (CID 97083131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).