N-(3-chlorophenyl)-2-(4-methoxyphenyl)morpholine-4-carboxamide

C18H19ClN2O3 — CID 110327203

IUPACN-(3-chlorophenyl)-2-(4-methoxyphenyl)morpholine-4-carboxamide
SMILESCOc1ccc(C2CN(C(=O)Nc3cccc(Cl)c3)CCO2)cc1
InChIInChI=1S/C18H19ClN2O3/c1-23-16-7-5-13(6-8-16)17-12-21(9-10-24-17)18(22)20-15-4-2-3-14(19)11-15/h2-8,11,17H,9-10,12H2,1H3,(H,20,22)
InChIKeyLNVNMIQTCJAQAE-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.95
Rot. Bonds3

About N-(3-chlorophenyl)-2-(4-methoxyphenyl)morpholine-4-carboxamide

N-(3-chlorophenyl)-2-(4-methoxyphenyl)morpholine-4-carboxamide (PubChem CID 110327203) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(4-methoxyphenyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(4-methoxyphenyl)morpholine-4-carboxamide
PubChem CID110327203
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC NameN-(3-chlorophenyl)-2-(4-methoxyphenyl)morpholine-4-carboxamide
SMILESCOc1ccc(C2CN(C(=O)Nc3cccc(Cl)c3)CCO2)cc1
InChIInChI=1S/C18H19ClN2O3/c1-23-16-7-5-13(6-8-16)17-12-21(9-10-24-17)18(22)20-15-4-2-3-14(19)11-15/h2-8,11,17H,9-10,12H2,1H3,(H,20,22)
InChIKeyLNVNMIQTCJAQAE-UHFFFAOYSA-N
XLogP3.95
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(4-methoxyphenyl)morpholine-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-2-(4-methoxyphenyl)morpholine-4-carboxamide (CID 110327203) is N-(3-chlorophenyl)-2-(4-methoxyphenyl)morpholine-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(4-methoxyphenyl)morpholine-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(4-methoxyphenyl)morpholine-4-carboxamide is COc1ccc(C2CN(C(=O)Nc3cccc(Cl)c3)CCO2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-2-(4-methoxyphenyl)morpholine-4-carboxamide?
The InChIKey is LNVNMIQTCJAQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-23-16-7-5-13(6-8-16)17-12-21(9-10-24-17)18(22)20-15-4-2-3-14(19)11-15/h2-8,11,17H,9-10,12H2,1H3,(H,20,22).
What are the key properties of N-(3-chlorophenyl)-2-(4-methoxyphenyl)morpholine-4-carboxamide?
N-(3-chlorophenyl)-2-(4-methoxyphenyl)morpholine-4-carboxamide has a molecular weight of 346.81 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(4-methoxyphenyl)morpholine-4-carboxamide is sourced from PubChem (CID 110327203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).