N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

C23H25F3N2O2 — CID 78832748

IUPACN-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESCN(Cc1ccccc1N1CCOCC1)C(=O)C1CC1c1ccccc1C(F)(F)F
InChIInChI=1S/C23H25F3N2O2/c1-27(15-16-6-2-5-9-21(16)28-10-12-30-13-11-28)22(29)19-14-18(19)17-7-3-4-8-20(17)23(24,25)26/h2-9,18-19H,10-15H2,1H3
InChIKeyNZIDNEUPIPNNJO-UHFFFAOYSA-N
MW418.46 g/mol
LogP4.30
Rot. Bonds5

About N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 78832748) has the molecular formula C23H25F3N2O2 and a molecular weight of 418.46 g/mol. Its IUPAC name is N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID78832748
Molecular FormulaC23H25F3N2O2
Molecular Weight418.46 g/mol
Exact Mass418.19
IUPAC NameN-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESCN(Cc1ccccc1N1CCOCC1)C(=O)C1CC1c1ccccc1C(F)(F)F
InChIInChI=1S/C23H25F3N2O2/c1-27(15-16-6-2-5-9-21(16)28-10-12-30-13-11-28)22(29)19-14-18(19)17-7-3-4-8-20(17)23(24,25)26/h2-9,18-19H,10-15H2,1H3
InChIKeyNZIDNEUPIPNNJO-UHFFFAOYSA-N
XLogP4.30
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 78832748) is N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is CN(Cc1ccccc1N1CCOCC1)C(=O)C1CC1c1ccccc1C(F)(F)F.
What is the InChIKey of N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is NZIDNEUPIPNNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N2O2/c1-27(15-16-6-2-5-9-21(16)28-10-12-30-13-11-28)22(29)19-14-18(19)17-7-3-4-8-20(17)23(24,25)26/h2-9,18-19H,10-15H2,1H3.
What are the key properties of N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 418.46 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 78832748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).