2-(4-chlorophenyl)-N-(2-fluoro-4-methylphenyl)morpholine-4-carboxamide

C18H18ClFN2O2 — CID 87034978

IUPAC2-(4-chlorophenyl)-N-(2-fluoro-4-methylphenyl)morpholine-4-carboxamide
SMILESCc1ccc(NC(=O)N2CCOC(c3ccc(Cl)cc3)C2)c(F)c1
InChIInChI=1S/C18H18ClFN2O2/c1-12-2-7-16(15(20)10-12)21-18(23)22-8-9-24-17(11-22)13-3-5-14(19)6-4-13/h2-7,10,17H,8-9,11H2,1H3,(H,21,23)
InChIKeyZDSQHUKXRRUWDU-UHFFFAOYSA-N
MW348.81 g/mol
LogP4.39
Rot. Bonds2

About 2-(4-chlorophenyl)-N-(2-fluoro-4-methylphenyl)morpholine-4-carboxamide

2-(4-chlorophenyl)-N-(2-fluoro-4-methylphenyl)morpholine-4-carboxamide (PubChem CID 87034978) has the molecular formula C18H18ClFN2O2 and a molecular weight of 348.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(2-fluoro-4-methylphenyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(2-fluoro-4-methylphenyl)morpholine-4-carboxamide
PubChem CID87034978
Molecular FormulaC18H18ClFN2O2
Molecular Weight348.81 g/mol
Exact Mass348.10
IUPAC Name2-(4-chlorophenyl)-N-(2-fluoro-4-methylphenyl)morpholine-4-carboxamide
SMILESCc1ccc(NC(=O)N2CCOC(c3ccc(Cl)cc3)C2)c(F)c1
InChIInChI=1S/C18H18ClFN2O2/c1-12-2-7-16(15(20)10-12)21-18(23)22-8-9-24-17(11-22)13-3-5-14(19)6-4-13/h2-7,10,17H,8-9,11H2,1H3,(H,21,23)
InChIKeyZDSQHUKXRRUWDU-UHFFFAOYSA-N
XLogP4.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(2-fluoro-4-methylphenyl)morpholine-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(2-fluoro-4-methylphenyl)morpholine-4-carboxamide (CID 87034978) is 2-(4-chlorophenyl)-N-(2-fluoro-4-methylphenyl)morpholine-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(2-fluoro-4-methylphenyl)morpholine-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(2-fluoro-4-methylphenyl)morpholine-4-carboxamide is Cc1ccc(NC(=O)N2CCOC(c3ccc(Cl)cc3)C2)c(F)c1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(2-fluoro-4-methylphenyl)morpholine-4-carboxamide?
The InChIKey is ZDSQHUKXRRUWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O2/c1-12-2-7-16(15(20)10-12)21-18(23)22-8-9-24-17(11-22)13-3-5-14(19)6-4-13/h2-7,10,17H,8-9,11H2,1H3,(H,21,23).
What are the key properties of 2-(4-chlorophenyl)-N-(2-fluoro-4-methylphenyl)morpholine-4-carboxamide?
2-(4-chlorophenyl)-N-(2-fluoro-4-methylphenyl)morpholine-4-carboxamide has a molecular weight of 348.81 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(2-fluoro-4-methylphenyl)morpholine-4-carboxamide is sourced from PubChem (CID 87034978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).