methyl 4-[(2-chlorophenyl)carbamoyl]morpholine-2-carboxylate

C13H15ClN2O4 — CID 78927127

IUPACmethyl 4-[(2-chlorophenyl)carbamoyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)Nc2ccccc2Cl)CCO1
InChIInChI=1S/C13H15ClN2O4/c1-19-12(17)11-8-16(6-7-20-11)13(18)15-10-5-3-2-4-9(10)14/h2-5,11H,6-8H2,1H3,(H,15,18)
InChIKeyWKQFHHRMZQUYKZ-UHFFFAOYSA-N
MW298.73 g/mol
LogP1.75
Rot. Bonds2

About methyl 4-[(2-chlorophenyl)carbamoyl]morpholine-2-carboxylate

methyl 4-[(2-chlorophenyl)carbamoyl]morpholine-2-carboxylate (PubChem CID 78927127) has the molecular formula C13H15ClN2O4 and a molecular weight of 298.73 g/mol. Its IUPAC name is methyl 4-[(2-chlorophenyl)carbamoyl]morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2-chlorophenyl)carbamoyl]morpholine-2-carboxylate
PubChem CID78927127
Molecular FormulaC13H15ClN2O4
Molecular Weight298.73 g/mol
Exact Mass298.07
IUPAC Namemethyl 4-[(2-chlorophenyl)carbamoyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)Nc2ccccc2Cl)CCO1
InChIInChI=1S/C13H15ClN2O4/c1-19-12(17)11-8-16(6-7-20-11)13(18)15-10-5-3-2-4-9(10)14/h2-5,11H,6-8H2,1H3,(H,15,18)
InChIKeyWKQFHHRMZQUYKZ-UHFFFAOYSA-N
XLogP1.75
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(2-methoxyphenyl)carbamoyl]morpholine-2-carboxylate
CID 78927066
methyl 4-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]morpholine-2-carboxylate
CID 122132801
4-[(2-chlorophenyl)carbamothioyl]morpholine-2-carboxamide
CID 49315389
methyl 4-[(3-methylphenyl)carbamoyl]morpholine-2-carboxylate
CID 78927184
N-(2-chlorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 17297614
(3R,5R)-N-(2-chlorophenyl)-3,5-dimethylpiperidine-1-carboxamide
CID 40638803
methyl 4-(2-methylbenzoyl)morpholine-2-carboxylate
CID 78926743
methyl (2R)-4-[(2,4-difluoro-5-methoxycarbonylphenyl)carbamoyl]morpholine-2-carboxylate
CID 99804116
(3S)-N-(2-chlorophenyl)-3-(methylamino)pyrrolidine-1-carboxamide
CID 172646373
(3R)-N-(2-chlorophenyl)-3-methylsulfonylpyrrolidine-1-carboxamide
CID 97414951
methyl 4-(2-chloropropanoylcarbamoyl)morpholine-2-carboxylate
CID 113330591
methyl 4-(piperidine-1-carbonyl)morpholine-2-carboxylate
CID 78927190

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-chlorophenyl)carbamoyl]morpholine-2-carboxylate?
The IUPAC name of methyl 4-[(2-chlorophenyl)carbamoyl]morpholine-2-carboxylate (CID 78927127) is methyl 4-[(2-chlorophenyl)carbamoyl]morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-[(2-chlorophenyl)carbamoyl]morpholine-2-carboxylate?
The canonical SMILES for methyl 4-[(2-chlorophenyl)carbamoyl]morpholine-2-carboxylate is COC(=O)C1CN(C(=O)Nc2ccccc2Cl)CCO1.
What is the InChIKey of methyl 4-[(2-chlorophenyl)carbamoyl]morpholine-2-carboxylate?
The InChIKey is WKQFHHRMZQUYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O4/c1-19-12(17)11-8-16(6-7-20-11)13(18)15-10-5-3-2-4-9(10)14/h2-5,11H,6-8H2,1H3,(H,15,18).
What are the key properties of methyl 4-[(2-chlorophenyl)carbamoyl]morpholine-2-carboxylate?
methyl 4-[(2-chlorophenyl)carbamoyl]morpholine-2-carboxylate has a molecular weight of 298.73 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-chlorophenyl)carbamoyl]morpholine-2-carboxylate is sourced from PubChem (CID 78927127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).