methyl 5-morpholin-4-yl-2-[[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzoate

C23H23F3N2O4 — CID 134033515

IUPACmethyl 5-morpholin-4-yl-2-[[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzoate
SMILESCOC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C1CC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H23F3N2O4/c1-31-22(30)19-12-16(28-8-10-32-11-9-28)6-7-20(19)27-21(29)18-13-17(18)14-2-4-15(5-3-14)23(24,25)26/h2-7,12,17-18H,8-11,13H2,1H3,(H,27,29)
InChIKeyROKYQKDGRJWDLG-UHFFFAOYSA-N
MW448.44 g/mol
LogP4.07
Rot. Bonds5

About methyl 5-morpholin-4-yl-2-[[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzoate

methyl 5-morpholin-4-yl-2-[[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzoate (PubChem CID 134033515) has the molecular formula C23H23F3N2O4 and a molecular weight of 448.44 g/mol. Its IUPAC name is methyl 5-morpholin-4-yl-2-[[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 5-morpholin-4-yl-2-[[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzoate
PubChem CID134033515
Molecular FormulaC23H23F3N2O4
Molecular Weight448.44 g/mol
Exact Mass448.16
IUPAC Namemethyl 5-morpholin-4-yl-2-[[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzoate
SMILESCOC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C1CC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H23F3N2O4/c1-31-22(30)19-12-16(28-8-10-32-11-9-28)6-7-20(19)27-21(29)18-13-17(18)14-2-4-15(5-3-14)23(24,25)26/h2-7,12,17-18H,8-11,13H2,1H3,(H,27,29)
InChIKeyROKYQKDGRJWDLG-UHFFFAOYSA-N
XLogP4.07
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.44
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-morpholin-4-yl-2-[[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzoate with MolForge

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Related Compounds

methyl 5-morpholin-4-yl-2-(pyrrolidine-3-carbonylamino)benzoate;dihydrochloride
CID 119840974
2-(furan-2-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 86851831
methyl 2-(morpholine-2-carbonylamino)-5-morpholin-4-ylbenzoate;dihydrochloride
CID 119840964
methyl 2-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]-5-morpholin-4-ylbenzoate
CID 120797586
N-(2,4-dimorpholin-4-ylphenyl)-2-methylcyclopropane-1-carboxamide
CID 112761839
trans-(1R,2R)-2-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 26873317
N-(4,5-dimethoxy-2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 134009885
methyl 2-[[2-(methylamino)acetyl]amino]-5-morpholin-4-ylbenzoate;dihydrochloride
CID 119840940
methyl 2-[(3-amino-2-methylbutanoyl)amino]-5-morpholin-4-ylbenzoate
CID 120502747
methyl 2-(4-methylpentanoylamino)-5-morpholin-4-ylbenzoate
CID 134033506
methyl 2-(3-aminopropanoylamino)-5-morpholin-4-ylbenzoate;dihydrochloride
CID 119840970
methyl 2-[[2-methyl-3-(methylamino)propanoyl]amino]-5-morpholin-4-ylbenzoate
CID 119840953

Frequently Asked Questions

What is the IUPAC name of methyl 5-morpholin-4-yl-2-[[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzoate?
The IUPAC name of methyl 5-morpholin-4-yl-2-[[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzoate (CID 134033515) is methyl 5-morpholin-4-yl-2-[[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzoate.
What is the SMILES notation for methyl 5-morpholin-4-yl-2-[[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzoate?
The canonical SMILES for methyl 5-morpholin-4-yl-2-[[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzoate is COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C1CC1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of methyl 5-morpholin-4-yl-2-[[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzoate?
The InChIKey is ROKYQKDGRJWDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N2O4/c1-31-22(30)19-12-16(28-8-10-32-11-9-28)6-7-20(19)27-21(29)18-13-17(18)14-2-4-15(5-3-14)23(24,25)26/h2-7,12,17-18H,8-11,13H2,1H3,(H,27,29).
What are the key properties of methyl 5-morpholin-4-yl-2-[[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzoate?
methyl 5-morpholin-4-yl-2-[[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzoate has a molecular weight of 448.44 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-morpholin-4-yl-2-[[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzoate is sourced from PubChem (CID 134033515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).