N-(2-amino-6-fluorophenyl)oxane-2-carboxamide

C12H15FN2O2 — CID 81314544

IUPACN-(2-amino-6-fluorophenyl)oxane-2-carboxamide
SMILESNc1cccc(F)c1NC(=O)C1CCCCO1
InChIInChI=1S/C12H15FN2O2/c13-8-4-3-5-9(14)11(8)15-12(16)10-6-1-2-7-17-10/h3-5,10H,1-2,6-7,14H2,(H,15,16)
InChIKeySOBBMGWBLGROOA-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.92
Rot. Bonds2

About N-(2-amino-6-fluorophenyl)oxane-2-carboxamide

N-(2-amino-6-fluorophenyl)oxane-2-carboxamide (PubChem CID 81314544) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is N-(2-amino-6-fluorophenyl)oxane-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-6-fluorophenyl)oxane-2-carboxamide
PubChem CID81314544
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC NameN-(2-amino-6-fluorophenyl)oxane-2-carboxamide
SMILESNc1cccc(F)c1NC(=O)C1CCCCO1
InChIInChI=1S/C12H15FN2O2/c13-8-4-3-5-9(14)11(8)15-12(16)10-6-1-2-7-17-10/h3-5,10H,1-2,6-7,14H2,(H,15,16)
InChIKeySOBBMGWBLGROOA-UHFFFAOYSA-N
XLogP1.92
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-dimethylphenyl)oxolane-2-carboxamide
CID 3155119
N-(2-bromo-6-fluoro-3-methylphenyl)oxolane-2-carboxamide
CID 122145963
2-fluoro-6-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 113462407
N-(2-amino-4-bromophenyl)oxane-2-carboxamide
CID 62213310
N-[6-(2,6-difluoroanilino)-3-pyridinyl]oxolane-2-carboxamide
CID 113023110
N-(2-cyano-3-fluorophenyl)oxolane-2-carboxamide
CID 43580330
N-[4-(aminomethyl)phenyl]oxane-2-carboxamide
CID 62214191
N-(3-fluoro-4-methylphenyl)oxane-2-carboxamide
CID 155941835
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
N-(2-bromophenyl)oxane-2-carboxamide
CID 62214619
4-fluoro-3-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
CID 104855570
(2S)-N-[4-[(3-fluorobenzoyl)amino]phenyl]oxolane-2-carboxamide
CID 37396645

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-fluorophenyl)oxane-2-carboxamide?
The IUPAC name of N-(2-amino-6-fluorophenyl)oxane-2-carboxamide (CID 81314544) is N-(2-amino-6-fluorophenyl)oxane-2-carboxamide.
What is the SMILES notation for N-(2-amino-6-fluorophenyl)oxane-2-carboxamide?
The canonical SMILES for N-(2-amino-6-fluorophenyl)oxane-2-carboxamide is Nc1cccc(F)c1NC(=O)C1CCCCO1.
What is the InChIKey of N-(2-amino-6-fluorophenyl)oxane-2-carboxamide?
The InChIKey is SOBBMGWBLGROOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c13-8-4-3-5-9(14)11(8)15-12(16)10-6-1-2-7-17-10/h3-5,10H,1-2,6-7,14H2,(H,15,16).
What are the key properties of N-(2-amino-6-fluorophenyl)oxane-2-carboxamide?
N-(2-amino-6-fluorophenyl)oxane-2-carboxamide has a molecular weight of 238.26 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-fluorophenyl)oxane-2-carboxamide is sourced from PubChem (CID 81314544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).