N-(5-chloro-2-methylphenyl)-2-[2-(4-fluorophenyl)morpholin-4-yl]propanamide

C20H22ClFN2O2 — CID 55564980

IUPACN-(5-chloro-2-methylphenyl)-2-[2-(4-fluorophenyl)morpholin-4-yl]propanamide
SMILESCc1ccc(Cl)cc1NC(=O)C(C)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C20H22ClFN2O2/c1-13-3-6-16(21)11-18(13)23-20(25)14(2)24-9-10-26-19(12-24)15-4-7-17(22)8-5-15/h3-8,11,14,19H,9-10,12H2,1-2H3,(H,23,25)
InChIKeyHWVPCIZDKSNNEC-UHFFFAOYSA-N
MW376.86 g/mol
LogP4.19
Rot. Bonds4

About N-(5-chloro-2-methylphenyl)-2-[2-(4-fluorophenyl)morpholin-4-yl]propanamide

N-(5-chloro-2-methylphenyl)-2-[2-(4-fluorophenyl)morpholin-4-yl]propanamide (PubChem CID 55564980) has the molecular formula C20H22ClFN2O2 and a molecular weight of 376.86 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[2-(4-fluorophenyl)morpholin-4-yl]propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[2-(4-fluorophenyl)morpholin-4-yl]propanamide
PubChem CID55564980
Molecular FormulaC20H22ClFN2O2
Molecular Weight376.86 g/mol
Exact Mass376.14
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[2-(4-fluorophenyl)morpholin-4-yl]propanamide
SMILESCc1ccc(Cl)cc1NC(=O)C(C)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C20H22ClFN2O2/c1-13-3-6-16(21)11-18(13)23-20(25)14(2)24-9-10-26-19(12-24)15-4-7-17(22)8-5-15/h3-8,11,14,19H,9-10,12H2,1-2H3,(H,23,25)
InChIKeyHWVPCIZDKSNNEC-UHFFFAOYSA-N
XLogP4.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.86
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[2-(4-fluorophenyl)morpholin-4-yl]propanamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[2-(4-fluorophenyl)morpholin-4-yl]propanamide (CID 55564980) is N-(5-chloro-2-methylphenyl)-2-[2-(4-fluorophenyl)morpholin-4-yl]propanamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[2-(4-fluorophenyl)morpholin-4-yl]propanamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[2-(4-fluorophenyl)morpholin-4-yl]propanamide is Cc1ccc(Cl)cc1NC(=O)C(C)N1CCOC(c2ccc(F)cc2)C1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[2-(4-fluorophenyl)morpholin-4-yl]propanamide?
The InChIKey is HWVPCIZDKSNNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O2/c1-13-3-6-16(21)11-18(13)23-20(25)14(2)24-9-10-26-19(12-24)15-4-7-17(22)8-5-15/h3-8,11,14,19H,9-10,12H2,1-2H3,(H,23,25).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[2-(4-fluorophenyl)morpholin-4-yl]propanamide?
N-(5-chloro-2-methylphenyl)-2-[2-(4-fluorophenyl)morpholin-4-yl]propanamide has a molecular weight of 376.86 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[2-(4-fluorophenyl)morpholin-4-yl]propanamide is sourced from PubChem (CID 55564980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).