methyl 4-(3-chlorobenzoyl)morpholine-3-carboxylate

C13H14ClNO4 — CID 113247579

IUPACmethyl 4-(3-chlorobenzoyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1C(=O)c1cccc(Cl)c1
InChIInChI=1S/C13H14ClNO4/c1-18-13(17)11-8-19-6-5-15(11)12(16)9-3-2-4-10(14)7-9/h2-4,7,11H,5-6,8H2,1H3
InChIKeyPUBWFCGATSNLKC-UHFFFAOYSA-N
MW283.71 g/mol
LogP1.35
Rot. Bonds2

About methyl 4-(3-chlorobenzoyl)morpholine-3-carboxylate

methyl 4-(3-chlorobenzoyl)morpholine-3-carboxylate (PubChem CID 113247579) has the molecular formula C13H14ClNO4 and a molecular weight of 283.71 g/mol. Its IUPAC name is methyl 4-(3-chlorobenzoyl)morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-chlorobenzoyl)morpholine-3-carboxylate
PubChem CID113247579
Molecular FormulaC13H14ClNO4
Molecular Weight283.71 g/mol
Exact Mass283.06
IUPAC Namemethyl 4-(3-chlorobenzoyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1C(=O)c1cccc(Cl)c1
InChIInChI=1S/C13H14ClNO4/c1-18-13(17)11-8-19-6-5-15(11)12(16)9-3-2-4-10(14)7-9/h2-4,7,11H,5-6,8H2,1H3
InChIKeyPUBWFCGATSNLKC-UHFFFAOYSA-N
XLogP1.35
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3R)-4-(3-hydroxy-4-methylbenzoyl)morpholine-3-carboxylate
CID 124603692
methyl 4-(4-amino-3-methylbenzoyl)morpholine-3-carboxylate
CID 104774380
methyl 4-(4-chloropyridine-2-carbonyl)morpholine-3-carboxylate
CID 115670216
methyl 4-(3-amino-4-methylbenzoyl)morpholine-3-carboxylate
CID 104774364
methyl 4-(3-amino-4-bromobenzoyl)morpholine-3-carboxylate
CID 104774410
(3R)-4-[3-(methoxymethyl)benzoyl]morpholine-3-carboxylic acid
CID 124513663
methyl 4-(4-chloro-2,5-difluorobenzoyl)morpholine-3-carboxylate
CID 115868973
methyl 4-(3-chlorothiophene-2-carbonyl)morpholine-3-carboxylate
CID 104774896
methyl 4-(2-fluoro-6-hydroxybenzoyl)morpholine-3-carboxylate
CID 104919956
methyl 4-(3,6-dichloropyridine-2-carbonyl)morpholine-3-carboxylate
CID 115669971
methyl 4-(2-amino-3-methoxybenzoyl)morpholine-3-carboxylate
CID 104774421
methyl 4-(6-methoxypyridine-3-carbonyl)morpholine-3-carboxylate
CID 115670220

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-chlorobenzoyl)morpholine-3-carboxylate?
The IUPAC name of methyl 4-(3-chlorobenzoyl)morpholine-3-carboxylate (CID 113247579) is methyl 4-(3-chlorobenzoyl)morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-(3-chlorobenzoyl)morpholine-3-carboxylate?
The canonical SMILES for methyl 4-(3-chlorobenzoyl)morpholine-3-carboxylate is COC(=O)C1COCCN1C(=O)c1cccc(Cl)c1.
What is the InChIKey of methyl 4-(3-chlorobenzoyl)morpholine-3-carboxylate?
The InChIKey is PUBWFCGATSNLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO4/c1-18-13(17)11-8-19-6-5-15(11)12(16)9-3-2-4-10(14)7-9/h2-4,7,11H,5-6,8H2,1H3.
What are the key properties of methyl 4-(3-chlorobenzoyl)morpholine-3-carboxylate?
methyl 4-(3-chlorobenzoyl)morpholine-3-carboxylate has a molecular weight of 283.71 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-chlorobenzoyl)morpholine-3-carboxylate is sourced from PubChem (CID 113247579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).