N-(4-amino-2-fluorophenyl)-5-methyloxolane-2-carboxamide

C12H15FN2O2 — CID 81324107

IUPACN-(4-amino-2-fluorophenyl)-5-methyloxolane-2-carboxamide
SMILESCC1CCC(C(=O)Nc2ccc(N)cc2F)O1
InChIInChI=1S/C12H15FN2O2/c1-7-2-5-11(17-7)12(16)15-10-4-3-8(14)6-9(10)13/h3-4,6-7,11H,2,5,14H2,1H3,(H,15,16)
InChIKeyDSQZRYQOHHOPIL-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.91
Rot. Bonds2

About N-(4-amino-2-fluorophenyl)-5-methyloxolane-2-carboxamide

N-(4-amino-2-fluorophenyl)-5-methyloxolane-2-carboxamide (PubChem CID 81324107) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is N-(4-amino-2-fluorophenyl)-5-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-fluorophenyl)-5-methyloxolane-2-carboxamide
PubChem CID81324107
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC NameN-(4-amino-2-fluorophenyl)-5-methyloxolane-2-carboxamide
SMILESCC1CCC(C(=O)Nc2ccc(N)cc2F)O1
InChIInChI=1S/C12H15FN2O2/c1-7-2-5-11(17-7)12(16)15-10-4-3-8(14)6-9(10)13/h3-4,6-7,11H,2,5,14H2,1H3,(H,15,16)
InChIKeyDSQZRYQOHHOPIL-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
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-bromo-4-methylphenyl)-5-methyloxolane-2-carboxamide
CID 81004083
N-(2-carbamothioyl-4-fluorophenyl)-5-methyloxolane-2-carboxamide
CID 82016133
5-hydroxy-2-[(5-methyloxolane-2-carbonyl)amino]benzoic acid
CID 81325335
N-(2-amino-5-methoxyphenyl)-5-methyloxolane-2-carboxamide
CID 81330891
4-bromo-3-[(5-methyloxolane-2-carbonyl)amino]benzoic acid
CID 107812525
N-(4-bromo-2-carbamothioylphenyl)-5-methyloxolane-2-carboxamide
CID 82704113
5-methyl-N-(2-methyl-3-sulfamoylphenyl)oxolane-2-carboxamide
CID 80973976
(2S,5R)-5-(aminomethyl)-N-(2,4-difluorophenyl)oxolane-2-carboxamide;hydrochloride
CID 120782929
N-(4-amino-2-fluorophenyl)thiane-2-carboxamide
CID 80594241
N-(6-bromo-2-methyl-3-pyridinyl)-5-methyloxolane-2-carboxamide
CID 103909567
(2S,5R)-5-(aminomethyl)-N-(4-bromo-2-fluorophenyl)oxolane-2-carboxamide
CID 120782948
3-methyl-4-[(5-methyloxolane-2-carbonyl)amino]benzenesulfonyl chloride
CID 81330911

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-fluorophenyl)-5-methyloxolane-2-carboxamide?
The IUPAC name of N-(4-amino-2-fluorophenyl)-5-methyloxolane-2-carboxamide (CID 81324107) is N-(4-amino-2-fluorophenyl)-5-methyloxolane-2-carboxamide.
What is the SMILES notation for N-(4-amino-2-fluorophenyl)-5-methyloxolane-2-carboxamide?
The canonical SMILES for N-(4-amino-2-fluorophenyl)-5-methyloxolane-2-carboxamide is CC1CCC(C(=O)Nc2ccc(N)cc2F)O1.
What is the InChIKey of N-(4-amino-2-fluorophenyl)-5-methyloxolane-2-carboxamide?
The InChIKey is DSQZRYQOHHOPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-7-2-5-11(17-7)12(16)15-10-4-3-8(14)6-9(10)13/h3-4,6-7,11H,2,5,14H2,1H3,(H,15,16).
What are the key properties of N-(4-amino-2-fluorophenyl)-5-methyloxolane-2-carboxamide?
N-(4-amino-2-fluorophenyl)-5-methyloxolane-2-carboxamide has a molecular weight of 238.26 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-fluorophenyl)-5-methyloxolane-2-carboxamide is sourced from PubChem (CID 81324107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).