N-(3,4-difluorophenyl)oxane-4-carboxamide

C12H13F2NO2 — CID 31963323

IUPACN-(3,4-difluorophenyl)oxane-4-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)C1CCOCC1
InChIInChI=1S/C12H13F2NO2/c13-10-2-1-9(7-11(10)14)15-12(16)8-3-5-17-6-4-8/h1-2,7-8H,3-6H2,(H,15,16)
InChIKeyJNNAQQNUOVZKNB-UHFFFAOYSA-N
MW241.24 g/mol
LogP2.33
Rot. Bonds2

About N-(3,4-difluorophenyl)oxane-4-carboxamide

N-(3,4-difluorophenyl)oxane-4-carboxamide (PubChem CID 31963323) has the molecular formula C12H13F2NO2 and a molecular weight of 241.24 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)oxane-4-carboxamide
PubChem CID31963323
Molecular FormulaC12H13F2NO2
Molecular Weight241.24 g/mol
Exact Mass241.09
IUPAC NameN-(3,4-difluorophenyl)oxane-4-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)C1CCOCC1
InChIInChI=1S/C12H13F2NO2/c13-10-2-1-9(7-11(10)14)15-12(16)8-3-5-17-6-4-8/h1-2,7-8H,3-6H2,(H,15,16)
InChIKeyJNNAQQNUOVZKNB-UHFFFAOYSA-N
XLogP2.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromo-4-fluorophenyl)oxane-4-carboxamide
CID 115661522
2-fluoro-4-(oxane-4-carbonylamino)benzenesulfonyl chloride
CID 62906523
N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide
CID 30179617
4-amino-N-(3,4-difluorophenyl)cyclohexane-1-carboxamide
CID 60847397
N-[4-(3-chloro-4-fluoroanilino)phenyl]oxane-4-carboxamide
CID 112987167
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]oxane-4-carboxamide
CID 65438048
2-fluoro-5-(oxolane-3-carbonylamino)benzoic acid
CID 61270294
2-amino-N-(3,4-difluorophenyl)-2-(oxan-4-yl)acetamide
CID 120782962
N-(3-fluoro-4-hydroxyphenyl)cyclopropanecarboxamide
CID 64780100
N-(3-iodo-4-methylphenyl)oxane-4-carboxamide
CID 31969171
N-(4-bromo-3-fluorophenyl)cyclopropanecarboxamide
CID 65436838
N-(4-chloro-3-fluorophenyl)cyclopropanecarboxamide
CID 60776243

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)oxane-4-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)oxane-4-carboxamide (CID 31963323) is N-(3,4-difluorophenyl)oxane-4-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)oxane-4-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)oxane-4-carboxamide is O=C(Nc1ccc(F)c(F)c1)C1CCOCC1.
What is the InChIKey of N-(3,4-difluorophenyl)oxane-4-carboxamide?
The InChIKey is JNNAQQNUOVZKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO2/c13-10-2-1-9(7-11(10)14)15-12(16)8-3-5-17-6-4-8/h1-2,7-8H,3-6H2,(H,15,16).
What are the key properties of N-(3,4-difluorophenyl)oxane-4-carboxamide?
N-(3,4-difluorophenyl)oxane-4-carboxamide has a molecular weight of 241.24 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)oxane-4-carboxamide is sourced from PubChem (CID 31963323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).