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

C18H19FN2O2 — CID 86987031

IUPACN-(3-fluoro-4-methylphenyl)-2-phenylmorpholine-4-carboxamide
SMILESCc1ccc(NC(=O)N2CCOC(c3ccccc3)C2)cc1F
InChIInChI=1S/C18H19FN2O2/c1-13-7-8-15(11-16(13)19)20-18(22)21-9-10-23-17(12-21)14-5-3-2-4-6-14/h2-8,11,17H,9-10,12H2,1H3,(H,20,22)
InChIKeyTWLGVSKVPPLSES-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.74
Rot. Bonds2

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

N-(3-fluoro-4-methylphenyl)-2-phenylmorpholine-4-carboxamide (PubChem CID 86987031) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-phenylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-phenylmorpholine-4-carboxamide
PubChem CID86987031
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-phenylmorpholine-4-carboxamide
SMILESCc1ccc(NC(=O)N2CCOC(c3ccccc3)C2)cc1F
InChIInChI=1S/C18H19FN2O2/c1-13-7-8-15(11-16(13)19)20-18(22)21-9-10-23-17(12-21)14-5-3-2-4-6-14/h2-8,11,17H,9-10,12H2,1H3,(H,20,22)
InChIKeyTWLGVSKVPPLSES-UHFFFAOYSA-N
XLogP3.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-ethylphenyl)-2-phenylmorpholine-4-carboxamide
CID 84526380
N-(3-fluoro-4-methylphenyl)-3-methylpiperidine-1-carboxamide
CID 17087793
(2S)-N-(3-nitrophenyl)-2-phenylmorpholine-4-carboxamide
CID 32840083
2-(4-fluorophenyl)-N-(3-methoxyphenyl)morpholine-4-carboxamide
CID 84524231
N-phenyl-4-(2-phenylmorpholine-4-carbonyl)piperidine-1-carboxamide
CID 128925946
N-[4-hydroxy-3-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl]acetamide
CID 97028515
N-(4-chlorophenyl)-2-(2-methylphenyl)morpholine-4-carboxamide
CID 110364497
2-(4-fluorophenyl)-N-(4-iodophenyl)morpholine-4-carboxamide
CID 55696920
(3aS,7aR)-N-(3-fluoro-4-methylphenyl)-1,3,3a,4,7,7a-hexahydroisoindole-2-carboxamide
CID 72872228
N-(2-methoxy-5-methylphenyl)-2-phenylmorpholine-4-carboxamide
CID 84526391
N-(3,4-dimethylphenyl)-3-phenylpyrrolidine-1-carboxamide
CID 5065354
(4aR,8aS)-N-(3-fluoro-4-methylphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 51944607

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2-phenylmorpholine-4-carboxamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-phenylmorpholine-4-carboxamide (CID 86987031) is N-(3-fluoro-4-methylphenyl)-2-phenylmorpholine-4-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-phenylmorpholine-4-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-phenylmorpholine-4-carboxamide is Cc1ccc(NC(=O)N2CCOC(c3ccccc3)C2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-phenylmorpholine-4-carboxamide?
The InChIKey is TWLGVSKVPPLSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-13-7-8-15(11-16(13)19)20-18(22)21-9-10-23-17(12-21)14-5-3-2-4-6-14/h2-8,11,17H,9-10,12H2,1H3,(H,20,22).
What are the key properties of N-(3-fluoro-4-methylphenyl)-2-phenylmorpholine-4-carboxamide?
N-(3-fluoro-4-methylphenyl)-2-phenylmorpholine-4-carboxamide has a molecular weight of 314.36 g/mol, XLogP of 3.74, 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)-2-phenylmorpholine-4-carboxamide is sourced from PubChem (CID 86987031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).