methyl 2-chloro-4-(morpholine-3-carbonylamino)benzoate

C13H15ClN2O4 — CID 119794095

IUPACmethyl 2-chloro-4-(morpholine-3-carbonylamino)benzoate
SMILESCOC(=O)c1ccc(NC(=O)C2COCCN2)cc1Cl
InChIInChI=1S/C13H15ClN2O4/c1-19-13(18)9-3-2-8(6-10(9)14)16-12(17)11-7-20-5-4-15-11/h2-3,6,11,15H,4-5,7H2,1H3,(H,16,17)
InChIKeyLDZXEKCMPNKNRX-UHFFFAOYSA-N
MW298.73 g/mol
LogP1.05
Rot. Bonds3

About methyl 2-chloro-4-(morpholine-3-carbonylamino)benzoate

methyl 2-chloro-4-(morpholine-3-carbonylamino)benzoate (PubChem CID 119794095) has the molecular formula C13H15ClN2O4 and a molecular weight of 298.73 g/mol. Its IUPAC name is methyl 2-chloro-4-(morpholine-3-carbonylamino)benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-4-(morpholine-3-carbonylamino)benzoate
PubChem CID119794095
Molecular FormulaC13H15ClN2O4
Molecular Weight298.73 g/mol
Exact Mass298.07
IUPAC Namemethyl 2-chloro-4-(morpholine-3-carbonylamino)benzoate
SMILESCOC(=O)c1ccc(NC(=O)C2COCCN2)cc1Cl
InChIInChI=1S/C13H15ClN2O4/c1-19-13(18)9-3-2-8(6-10(9)14)16-12(17)11-7-20-5-4-15-11/h2-3,6,11,15H,4-5,7H2,1H3,(H,16,17)
InChIKeyLDZXEKCMPNKNRX-UHFFFAOYSA-N
XLogP1.05
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]morpholine-3-carboxamide
CID 119713018
N-(3,4-dimethoxyphenyl)morpholine-3-carboxamide;hydrochloride
CID 119673632
N-[3-chloro-4-(difluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119676727
N-(3,4-dimethylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670622
N-(3-ethyl-4-methoxyphenyl)morpholine-3-carboxamide
CID 115177545
methyl 2-chloro-4-(pyrrolidine-3-carbonylamino)benzoate;hydrochloride
CID 119794128
N-(3-methylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670415
N-[3-(dimethylamino)-4-methylphenyl]morpholine-3-carboxamide
CID 115377301
N-[4-chloro-3-(diethylsulfamoyl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119679883
ethyl 4-(morpholine-3-carbonylamino)benzoate;hydrochloride
CID 119672431
N-(4-ethoxy-3-fluorophenyl)morpholine-3-carboxamide
CID 112701655
N-[4-(2-methylpropanoylamino)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119685241

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-4-(morpholine-3-carbonylamino)benzoate?
The IUPAC name of methyl 2-chloro-4-(morpholine-3-carbonylamino)benzoate (CID 119794095) is methyl 2-chloro-4-(morpholine-3-carbonylamino)benzoate.
What is the SMILES notation for methyl 2-chloro-4-(morpholine-3-carbonylamino)benzoate?
The canonical SMILES for methyl 2-chloro-4-(morpholine-3-carbonylamino)benzoate is COC(=O)c1ccc(NC(=O)C2COCCN2)cc1Cl.
What is the InChIKey of methyl 2-chloro-4-(morpholine-3-carbonylamino)benzoate?
The InChIKey is LDZXEKCMPNKNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O4/c1-19-13(18)9-3-2-8(6-10(9)14)16-12(17)11-7-20-5-4-15-11/h2-3,6,11,15H,4-5,7H2,1H3,(H,16,17).
What are the key properties of methyl 2-chloro-4-(morpholine-3-carbonylamino)benzoate?
methyl 2-chloro-4-(morpholine-3-carbonylamino)benzoate has a molecular weight of 298.73 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-4-(morpholine-3-carbonylamino)benzoate is sourced from PubChem (CID 119794095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).