N-[4-(2,4-difluorophenyl)oxan-4-yl]-5-methylfuran-3-carboxamide

C17H17F2NO3 — CID 136534009

IUPACN-[4-(2,4-difluorophenyl)oxan-4-yl]-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC2(c3ccc(F)cc3F)CCOCC2)co1
InChIInChI=1S/C17H17F2NO3/c1-11-8-12(10-23-11)16(21)20-17(4-6-22-7-5-17)14-3-2-13(18)9-15(14)19/h2-3,8-10H,4-7H2,1H3,(H,20,21)
InChIKeyMGAILVOGZJWXLD-UHFFFAOYSA-N
MW321.32 g/mol
LogP3.30
Rot. Bonds3

About N-[4-(2,4-difluorophenyl)oxan-4-yl]-5-methylfuran-3-carboxamide

N-[4-(2,4-difluorophenyl)oxan-4-yl]-5-methylfuran-3-carboxamide (PubChem CID 136534009) has the molecular formula C17H17F2NO3 and a molecular weight of 321.32 g/mol. Its IUPAC name is N-[4-(2,4-difluorophenyl)oxan-4-yl]-5-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2,4-difluorophenyl)oxan-4-yl]-5-methylfuran-3-carboxamide
PubChem CID136534009
Molecular FormulaC17H17F2NO3
Molecular Weight321.32 g/mol
Exact Mass321.12
IUPAC NameN-[4-(2,4-difluorophenyl)oxan-4-yl]-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC2(c3ccc(F)cc3F)CCOCC2)co1
InChIInChI=1S/C17H17F2NO3/c1-11-8-12(10-23-11)16(21)20-17(4-6-22-7-5-17)14-3-2-13(18)9-15(14)19/h2-3,8-10H,4-7H2,1H3,(H,20,21)
InChIKeyMGAILVOGZJWXLD-UHFFFAOYSA-N
XLogP3.30
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-methyl-1H-pyrrole-3-carboxamide
CID 75393612
N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 75393613
3-cyano-N-[4-(2,4-difluorophenyl)oxan-4-yl]benzamide
CID 75392620
(2R)-N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-hydroxy-2-phenylacetamide
CID 97248230
N-[4-(2,4-difluorophenyl)oxan-4-yl]-3-[(2S)-oxolan-2-yl]propanamide
CID 97083131
N-[1-(2,4-difluorophenyl)cyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 127701866
1-[4-(2,4-difluorophenyl)oxan-4-yl]-3-(1H-indol-6-yl)urea
CID 126785654
N-[4-(2,4-difluorophenyl)oxan-4-yl]-4-fluoro-2-methylbenzenesulfonamide
CID 99589179
4-(2,4-difluorophenyl)oxane-4-carboxylic acid
CID 64561177
2-[3-[[4-(2,4-difluorophenyl)oxan-4-yl]amino]-3-oxopropyl]benzoic acid
CID 120551325
N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-fluoro-4-methylbenzenesulfonamide
CID 99589170
N-[1-(2,4-difluorophenyl)cyclopentyl]-2-ethoxy-1,3-oxazole-4-carboxamide
CID 139007664

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-difluorophenyl)oxan-4-yl]-5-methylfuran-3-carboxamide?
The IUPAC name of N-[4-(2,4-difluorophenyl)oxan-4-yl]-5-methylfuran-3-carboxamide (CID 136534009) is N-[4-(2,4-difluorophenyl)oxan-4-yl]-5-methylfuran-3-carboxamide.
What is the SMILES notation for N-[4-(2,4-difluorophenyl)oxan-4-yl]-5-methylfuran-3-carboxamide?
The canonical SMILES for N-[4-(2,4-difluorophenyl)oxan-4-yl]-5-methylfuran-3-carboxamide is Cc1cc(C(=O)NC2(c3ccc(F)cc3F)CCOCC2)co1.
What is the InChIKey of N-[4-(2,4-difluorophenyl)oxan-4-yl]-5-methylfuran-3-carboxamide?
The InChIKey is MGAILVOGZJWXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO3/c1-11-8-12(10-23-11)16(21)20-17(4-6-22-7-5-17)14-3-2-13(18)9-15(14)19/h2-3,8-10H,4-7H2,1H3,(H,20,21).
What are the key properties of N-[4-(2,4-difluorophenyl)oxan-4-yl]-5-methylfuran-3-carboxamide?
N-[4-(2,4-difluorophenyl)oxan-4-yl]-5-methylfuran-3-carboxamide has a molecular weight of 321.32 g/mol, XLogP of 3.30, 3 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]-5-methylfuran-3-carboxamide is sourced from PubChem (CID 136534009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).