4-[2-(2,5-dichlorophenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide

C14H16Cl2N2O3 — CID 83102101

IUPAC4-[2-(2,5-dichlorophenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1CC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H16Cl2N2O3/c1-17-14(20)12-8-21-5-4-18(12)7-13(19)10-6-9(15)2-3-11(10)16/h2-3,6,12H,4-5,7-8H2,1H3,(H,17,20)
InChIKeyMMWATCOOIPDHPN-UHFFFAOYSA-N
MW331.20 g/mol
LogP1.62
Rot. Bonds4

About 4-[2-(2,5-dichlorophenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide

4-[2-(2,5-dichlorophenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide (PubChem CID 83102101) has the molecular formula C14H16Cl2N2O3 and a molecular weight of 331.20 g/mol. Its IUPAC name is 4-[2-(2,5-dichlorophenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[2-(2,5-dichlorophenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
PubChem CID83102101
Molecular FormulaC14H16Cl2N2O3
Molecular Weight331.20 g/mol
Exact Mass330.05
IUPAC Name4-[2-(2,5-dichlorophenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1CC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H16Cl2N2O3/c1-17-14(20)12-8-21-5-4-18(12)7-13(19)10-6-9(15)2-3-11(10)16/h2-3,6,12H,4-5,7-8H2,1H3,(H,17,20)
InChIKeyMMWATCOOIPDHPN-UHFFFAOYSA-N
XLogP1.62
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(2-chlorophenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83103176
4-[2-(2,4-dimethylphenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83101980
4-[2-(3,4-difluorophenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83101984
4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83103739
4-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83102810
N-methyl-4-(2-oxo-2-thiophen-2-ylethyl)morpholine-3-carboxamide
CID 83102887
4-(2-carbamothioyl-4-chlorophenyl)-N-methylmorpholine-3-carboxamide
CID 83098502
(3S)-4-ethyl-N-methylmorpholine-3-carboxamide
CID 99978843
4-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83103671
4-[2-(3-bromothiophen-2-yl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83103244
4-[2-(4-aminoanilino)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83097786
4-[(6-chloropyridazin-3-yl)methyl]-N-methylmorpholine-3-carboxamide
CID 104513820

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,5-dichlorophenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide?
The IUPAC name of 4-[2-(2,5-dichlorophenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide (CID 83102101) is 4-[2-(2,5-dichlorophenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[2-(2,5-dichlorophenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide?
The canonical SMILES for 4-[2-(2,5-dichlorophenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide is CNC(=O)C1COCCN1CC(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 4-[2-(2,5-dichlorophenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide?
The InChIKey is MMWATCOOIPDHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O3/c1-17-14(20)12-8-21-5-4-18(12)7-13(19)10-6-9(15)2-3-11(10)16/h2-3,6,12H,4-5,7-8H2,1H3,(H,17,20).
What are the key properties of 4-[2-(2,5-dichlorophenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide?
4-[2-(2,5-dichlorophenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide has a molecular weight of 331.20 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,5-dichlorophenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 83102101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).