N-(3-fluoro-5-methylphenyl)morpholine-3-carboxamide

C12H15FN2O2 — CID 79049402

IUPACN-(3-fluoro-5-methylphenyl)morpholine-3-carboxamide
SMILESCc1cc(F)cc(NC(=O)C2COCCN2)c1
InChIInChI=1S/C12H15FN2O2/c1-8-4-9(13)6-10(5-8)15-12(16)11-7-17-3-2-14-11/h4-6,11,14H,2-3,7H2,1H3,(H,15,16)
InChIKeyFJSZRIMFMPNFHB-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.06
Rot. Bonds2

About N-(3-fluoro-5-methylphenyl)morpholine-3-carboxamide

N-(3-fluoro-5-methylphenyl)morpholine-3-carboxamide (PubChem CID 79049402) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is N-(3-fluoro-5-methylphenyl)morpholine-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-5-methylphenyl)morpholine-3-carboxamide
PubChem CID79049402
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC NameN-(3-fluoro-5-methylphenyl)morpholine-3-carboxamide
SMILESCc1cc(F)cc(NC(=O)C2COCCN2)c1
InChIInChI=1S/C12H15FN2O2/c1-8-4-9(13)6-10(5-8)15-12(16)11-7-17-3-2-14-11/h4-6,11,14H,2-3,7H2,1H3,(H,15,16)
InChIKeyFJSZRIMFMPNFHB-UHFFFAOYSA-N
XLogP1.06
TPSA50.36 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 ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670415
N-(3,5-difluoro-4-iodophenyl)morpholine-3-carboxamide
CID 119764590
N-(3,5-difluoro-4-iodophenyl)morpholine-3-carboxamide;hydrochloride
CID 119764589
N-(3,4-dimethylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670622
N-(2-bromo-5-methylphenyl)morpholine-3-carboxamide
CID 82757225
N-(2-methoxy-4,6-dimethylphenyl)morpholine-3-carboxamide
CID 115177560
N-[3-(dimethylamino)-4-methylphenyl]morpholine-3-carboxamide
CID 115377301
4,4-difluoro-N-(3-fluoro-5-methylphenyl)pyrrolidine-2-carboxamide
CID 120955050
N-(2,2-difluoro-1,3-benzodioxol-5-yl)morpholine-3-carboxamide;hydrochloride
CID 119693674
N-(4-ethoxy-3-fluorophenyl)morpholine-3-carboxamide
CID 112701655
N-[4-(2-methylpropanoylamino)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119685241
(3S)-N-[3-(trifluoromethyl)phenyl]morpholine-3-carboxamide
CID 129372263

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-methylphenyl)morpholine-3-carboxamide?
The IUPAC name of N-(3-fluoro-5-methylphenyl)morpholine-3-carboxamide (CID 79049402) is N-(3-fluoro-5-methylphenyl)morpholine-3-carboxamide.
What is the SMILES notation for N-(3-fluoro-5-methylphenyl)morpholine-3-carboxamide?
The canonical SMILES for N-(3-fluoro-5-methylphenyl)morpholine-3-carboxamide is Cc1cc(F)cc(NC(=O)C2COCCN2)c1.
What is the InChIKey of N-(3-fluoro-5-methylphenyl)morpholine-3-carboxamide?
The InChIKey is FJSZRIMFMPNFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-8-4-9(13)6-10(5-8)15-12(16)11-7-17-3-2-14-11/h4-6,11,14H,2-3,7H2,1H3,(H,15,16).
What are the key properties of N-(3-fluoro-5-methylphenyl)morpholine-3-carboxamide?
N-(3-fluoro-5-methylphenyl)morpholine-3-carboxamide has a molecular weight of 238.26 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-methylphenyl)morpholine-3-carboxamide is sourced from PubChem (CID 79049402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).