N-(3-fluoro-4-methylphenyl)oxane-2-carboxamide

C13H16FNO2 — CID 155941835

IUPACN-(3-fluoro-4-methylphenyl)oxane-2-carboxamide
SMILESCc1ccc(NC(=O)C2CCCCO2)cc1F
InChIInChI=1S/C13H16FNO2/c1-9-5-6-10(8-11(9)14)15-13(16)12-4-2-3-7-17-12/h5-6,8,12H,2-4,7H2,1H3,(H,15,16)
InChIKeyLAOIUGRKXLLMSQ-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.64
Rot. Bonds2

About N-(3-fluoro-4-methylphenyl)oxane-2-carboxamide

N-(3-fluoro-4-methylphenyl)oxane-2-carboxamide (PubChem CID 155941835) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)oxane-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)oxane-2-carboxamide
PubChem CID155941835
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC NameN-(3-fluoro-4-methylphenyl)oxane-2-carboxamide
SMILESCc1ccc(NC(=O)C2CCCCO2)cc1F
InChIInChI=1S/C13H16FNO2/c1-9-5-6-10(8-11(9)14)15-13(16)12-4-2-3-7-17-12/h5-6,8,12H,2-4,7H2,1H3,(H,15,16)
InChIKeyLAOIUGRKXLLMSQ-UHFFFAOYSA-N
XLogP2.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methyl-3-sulfamoylphenyl)oxane-2-carboxamide
CID 62213044
2-methyl-5-(oxolane-2-carbonylamino)benzoic acid
CID 63652254
(2R)-N-[2-(3-fluoro-4-methylbenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide
CID 97274157
N-[4-(3,4-dimethylanilino)phenyl]oxolane-2-carboxamide
CID 112986357
2-methyl-4-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
CID 104855634
N-(2-bromo-6-fluoro-3-methylphenyl)oxolane-2-carboxamide
CID 122145963
N-(4-tert-butylphenyl)oxane-2-carboxamide
CID 110858471
trans-(1S,2S)-2-[(3-fluoro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylate
CID 6978659
N-[3-(dimethylsulfamoyl)-4-methylphenyl]oxolane-2-carboxamide
CID 42904547
N-[3-[(2-aminoacetyl)amino]-4-methylphenyl]oxolane-2-carboxamide
CID 82034969
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
N-(4-bromo-3-chlorophenyl)oxane-2-carboxamide
CID 103824509

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)oxane-2-carboxamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)oxane-2-carboxamide (CID 155941835) is N-(3-fluoro-4-methylphenyl)oxane-2-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)oxane-2-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)oxane-2-carboxamide is Cc1ccc(NC(=O)C2CCCCO2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)oxane-2-carboxamide?
The InChIKey is LAOIUGRKXLLMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-9-5-6-10(8-11(9)14)15-13(16)12-4-2-3-7-17-12/h5-6,8,12H,2-4,7H2,1H3,(H,15,16).
What are the key properties of N-(3-fluoro-4-methylphenyl)oxane-2-carboxamide?
N-(3-fluoro-4-methylphenyl)oxane-2-carboxamide has a molecular weight of 237.27 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)oxane-2-carboxamide is sourced from PubChem (CID 155941835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).