3-cyclopropyl-N-[(3-fluoro-4-methylphenyl)methyl]morpholine-4-carboxamide

C16H21FN2O2 — CID 84590244

IUPAC3-cyclopropyl-N-[(3-fluoro-4-methylphenyl)methyl]morpholine-4-carboxamide
SMILESCc1ccc(CNC(=O)N2CCOCC2C2CC2)cc1F
InChIInChI=1S/C16H21FN2O2/c1-11-2-3-12(8-14(11)17)9-18-16(20)19-6-7-21-10-15(19)13-4-5-13/h2-3,8,13,15H,4-7,9-10H2,1H3,(H,18,20)
InChIKeyLCCYSNNOMFIRLC-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.45
Rot. Bonds3

About 3-cyclopropyl-N-[(3-fluoro-4-methylphenyl)methyl]morpholine-4-carboxamide

3-cyclopropyl-N-[(3-fluoro-4-methylphenyl)methyl]morpholine-4-carboxamide (PubChem CID 84590244) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(3-fluoro-4-methylphenyl)methyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[(3-fluoro-4-methylphenyl)methyl]morpholine-4-carboxamide
PubChem CID84590244
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name3-cyclopropyl-N-[(3-fluoro-4-methylphenyl)methyl]morpholine-4-carboxamide
SMILESCc1ccc(CNC(=O)N2CCOCC2C2CC2)cc1F
InChIInChI=1S/C16H21FN2O2/c1-11-2-3-12(8-14(11)17)9-18-16(20)19-6-7-21-10-15(19)13-4-5-13/h2-3,8,13,15H,4-7,9-10H2,1H3,(H,18,20)
InChIKeyLCCYSNNOMFIRLC-UHFFFAOYSA-N
XLogP2.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[(3-fluoro-4-methylphenyl)methyl]morpholine-4-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[(3-fluoro-4-methylphenyl)methyl]morpholine-4-carboxamide (CID 84590244) is 3-cyclopropyl-N-[(3-fluoro-4-methylphenyl)methyl]morpholine-4-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[(3-fluoro-4-methylphenyl)methyl]morpholine-4-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[(3-fluoro-4-methylphenyl)methyl]morpholine-4-carboxamide is Cc1ccc(CNC(=O)N2CCOCC2C2CC2)cc1F.
What is the InChIKey of 3-cyclopropyl-N-[(3-fluoro-4-methylphenyl)methyl]morpholine-4-carboxamide?
The InChIKey is LCCYSNNOMFIRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-11-2-3-12(8-14(11)17)9-18-16(20)19-6-7-21-10-15(19)13-4-5-13/h2-3,8,13,15H,4-7,9-10H2,1H3,(H,18,20).
What are the key properties of 3-cyclopropyl-N-[(3-fluoro-4-methylphenyl)methyl]morpholine-4-carboxamide?
3-cyclopropyl-N-[(3-fluoro-4-methylphenyl)methyl]morpholine-4-carboxamide has a molecular weight of 292.35 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[(3-fluoro-4-methylphenyl)methyl]morpholine-4-carboxamide is sourced from PubChem (CID 84590244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).