methyl 2-chloro-4-[4-[[4-[(2R)-morpholin-2-yl]phenyl]carbamoyl]phenoxy]benzoate

C25H23ClN2O5 — CID 175718206

IUPACmethyl 2-chloro-4-[4-[[4-[(2R)-morpholin-2-yl]phenyl]carbamoyl]phenoxy]benzoate
SMILESCOC(=O)c1ccc(Oc2ccc(C(=O)Nc3ccc([C@@H]4CNCCO4)cc3)cc2)cc1Cl
InChIInChI=1S/C25H23ClN2O5/c1-31-25(30)21-11-10-20(14-22(21)26)33-19-8-4-17(5-9-19)24(29)28-18-6-2-16(3-7-18)23-15-27-12-13-32-23/h2-11,14,23,27H,12-13,15H2,1H3,(H,28,29)/t23-/m0/s1
InChIKeyLINWFJUXYCCSJA-QHCPKHFHSA-N
MW466.92 g/mol
LogP4.83
Rot. Bonds6

About methyl 2-chloro-4-[4-[[4-[(2R)-morpholin-2-yl]phenyl]carbamoyl]phenoxy]benzoate

methyl 2-chloro-4-[4-[[4-[(2R)-morpholin-2-yl]phenyl]carbamoyl]phenoxy]benzoate (PubChem CID 175718206) has the molecular formula C25H23ClN2O5 and a molecular weight of 466.92 g/mol. Its IUPAC name is methyl 2-chloro-4-[4-[[4-[(2R)-morpholin-2-yl]phenyl]carbamoyl]phenoxy]benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-4-[4-[[4-[(2R)-morpholin-2-yl]phenyl]carbamoyl]phenoxy]benzoate
PubChem CID175718206
Molecular FormulaC25H23ClN2O5
Molecular Weight466.92 g/mol
Exact Mass466.13
IUPAC Namemethyl 2-chloro-4-[4-[[4-[(2R)-morpholin-2-yl]phenyl]carbamoyl]phenoxy]benzoate
SMILESCOC(=O)c1ccc(Oc2ccc(C(=O)Nc3ccc([C@@H]4CNCCO4)cc3)cc2)cc1Cl
InChIInChI=1S/C25H23ClN2O5/c1-31-25(30)21-11-10-20(14-22(21)26)33-19-8-4-17(5-9-19)24(29)28-18-6-2-16(3-7-18)23-15-27-12-13-32-23/h2-11,14,23,27H,12-13,15H2,1H3,(H,28,29)/t23-/m0/s1
InChIKeyLINWFJUXYCCSJA-QHCPKHFHSA-N
XLogP4.83
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.92
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-chloro-4-[4-[[4-[(2R)-morpholin-2-yl]phenyl]carbamoyl]phenoxy]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-N-(4-morpholin-2-ylphenyl)benzamide;hydrochloride
CID 67239468
4-chloro-2-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide
CID 130184022
4-formyl-N-(4-morpholin-2-ylphenyl)benzamide
CID 86673956
4-chloro-2-fluoro-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;4-chloro-2-fluoro-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide
CID 159688298
2,6-dichloro-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide
CID 129387150
N-(2,6-dichlorophenyl)-4-[(2S)-morpholin-2-yl]benzamide
CID 129387149
3-(4-chlorophenyl)-N-(4-morpholin-2-ylphenyl)-1H-pyrazole-5-carboxamide
CID 71087529
3-(2-chlorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-5-carboxamide;hydrochloride
CID 71087843
3-(4-chlorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-5-carboxamide;hydrochloride
CID 71087692
tert-butyl N-(4-morpholin-2-ylphenyl)carbamate
CID 117446363
3-(2-methoxyphenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-5-carboxamide;hydrochloride
CID 71087965
N-[4-[(2S)-morpholin-2-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 56836053

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-4-[4-[[4-[(2R)-morpholin-2-yl]phenyl]carbamoyl]phenoxy]benzoate?
The IUPAC name of methyl 2-chloro-4-[4-[[4-[(2R)-morpholin-2-yl]phenyl]carbamoyl]phenoxy]benzoate (CID 175718206) is methyl 2-chloro-4-[4-[[4-[(2R)-morpholin-2-yl]phenyl]carbamoyl]phenoxy]benzoate.
What is the SMILES notation for methyl 2-chloro-4-[4-[[4-[(2R)-morpholin-2-yl]phenyl]carbamoyl]phenoxy]benzoate?
The canonical SMILES for methyl 2-chloro-4-[4-[[4-[(2R)-morpholin-2-yl]phenyl]carbamoyl]phenoxy]benzoate is COC(=O)c1ccc(Oc2ccc(C(=O)Nc3ccc([C@@H]4CNCCO4)cc3)cc2)cc1Cl.
What is the InChIKey of methyl 2-chloro-4-[4-[[4-[(2R)-morpholin-2-yl]phenyl]carbamoyl]phenoxy]benzoate?
The InChIKey is LINWFJUXYCCSJA-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H23ClN2O5/c1-31-25(30)21-11-10-20(14-22(21)26)33-19-8-4-17(5-9-19)24(29)28-18-6-2-16(3-7-18)23-15-27-12-13-32-23/h2-11,14,23,27H,12-13,15H2,1H3,(H,28,29)/t23-/m0/s1.
What are the key properties of methyl 2-chloro-4-[4-[[4-[(2R)-morpholin-2-yl]phenyl]carbamoyl]phenoxy]benzoate?
methyl 2-chloro-4-[4-[[4-[(2R)-morpholin-2-yl]phenyl]carbamoyl]phenoxy]benzoate has a molecular weight of 466.92 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-4-[4-[[4-[(2R)-morpholin-2-yl]phenyl]carbamoyl]phenoxy]benzoate is sourced from PubChem (CID 175718206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).