4-amino-N-(3-cyano-4-fluorophenyl)oxane-4-carboxamide

C13H14FN3O2 — CID 115294803

IUPAC4-amino-N-(3-cyano-4-fluorophenyl)oxane-4-carboxamide
SMILESN#Cc1cc(NC(=O)C2(N)CCOCC2)ccc1F
InChIInChI=1S/C13H14FN3O2/c14-11-2-1-10(7-9(11)8-15)17-12(18)13(16)3-5-19-6-4-13/h1-2,7H,3-6,16H2,(H,17,18)
InChIKeyKESDEFCJRJYTJH-UHFFFAOYSA-N
MW263.27 g/mol
LogP1.14
Rot. Bonds2

About 4-amino-N-(3-cyano-4-fluorophenyl)oxane-4-carboxamide

4-amino-N-(3-cyano-4-fluorophenyl)oxane-4-carboxamide (PubChem CID 115294803) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is 4-amino-N-(3-cyano-4-fluorophenyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-cyano-4-fluorophenyl)oxane-4-carboxamide
PubChem CID115294803
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name4-amino-N-(3-cyano-4-fluorophenyl)oxane-4-carboxamide
SMILESN#Cc1cc(NC(=O)C2(N)CCOCC2)ccc1F
InChIInChI=1S/C13H14FN3O2/c14-11-2-1-10(7-9(11)8-15)17-12(18)13(16)3-5-19-6-4-13/h1-2,7H,3-6,16H2,(H,17,18)
InChIKeyKESDEFCJRJYTJH-UHFFFAOYSA-N
XLogP1.14
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 115294569
4-amino-N-(4-bromo-3-fluorophenyl)oxane-4-carboxamide
CID 113280837
4-amino-N-(4-fluoro-3-methoxyphenyl)oxane-4-carboxamide
CID 114839694
3-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide
CID 65485523
4-amino-N-(2-cyanophenyl)oxane-4-carboxamide
CID 113280537
3-amino-N-(2-cyano-4-fluorophenyl)oxolane-3-carboxamide
CID 82016621
4-amino-N-(4-methylphenyl)oxane-4-carboxamide
CID 113280557
4-amino-N-[4-(2-cyanopropan-2-yl)phenyl]oxane-4-carboxamide
CID 115293819
4-amino-N-(2,3,4-trifluorophenyl)oxane-4-carboxamide
CID 115293503
4-[(3-aminooxolane-3-carbonyl)amino]-2-fluorobenzoic acid
CID 103869180
N-(3-cyano-4-fluorophenyl)-2-methylpiperidine-2-carboxamide
CID 104596735
1-amino-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)cyclopentane-1-carboxamide
CID 119265809

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-cyano-4-fluorophenyl)oxane-4-carboxamide?
The IUPAC name of 4-amino-N-(3-cyano-4-fluorophenyl)oxane-4-carboxamide (CID 115294803) is 4-amino-N-(3-cyano-4-fluorophenyl)oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-(3-cyano-4-fluorophenyl)oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-(3-cyano-4-fluorophenyl)oxane-4-carboxamide is N#Cc1cc(NC(=O)C2(N)CCOCC2)ccc1F.
What is the InChIKey of 4-amino-N-(3-cyano-4-fluorophenyl)oxane-4-carboxamide?
The InChIKey is KESDEFCJRJYTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c14-11-2-1-10(7-9(11)8-15)17-12(18)13(16)3-5-19-6-4-13/h1-2,7H,3-6,16H2,(H,17,18).
What are the key properties of 4-amino-N-(3-cyano-4-fluorophenyl)oxane-4-carboxamide?
4-amino-N-(3-cyano-4-fluorophenyl)oxane-4-carboxamide has a molecular weight of 263.27 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-cyano-4-fluorophenyl)oxane-4-carboxamide is sourced from PubChem (CID 115294803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).