N-cyclopropyl-N-[[3-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(trifluoromethyl)benzamide

C23H24F3NO3 — CID 45184209

IUPACN-cyclopropyl-N-[[3-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(trifluoromethyl)benzamide
SMILESO=C(c1ccccc1C(F)(F)F)N(Cc1cccc(OCC2CCCO2)c1)C1CC1
InChIInChI=1S/C23H24F3NO3/c24-23(25,26)21-9-2-1-8-20(21)22(28)27(17-10-11-17)14-16-5-3-6-18(13-16)30-15-19-7-4-12-29-19/h1-3,5-6,8-9,13,17,19H,4,7,10-12,14-15H2
InChIKeyIVMRWXIDRKVQQZ-UHFFFAOYSA-N
MW419.44 g/mol
LogP5.07
Rot. Bonds7

About N-cyclopropyl-N-[[3-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(trifluoromethyl)benzamide

N-cyclopropyl-N-[[3-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(trifluoromethyl)benzamide (PubChem CID 45184209) has the molecular formula C23H24F3NO3 and a molecular weight of 419.44 g/mol. Its IUPAC name is N-cyclopropyl-N-[[3-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[3-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(trifluoromethyl)benzamide
PubChem CID45184209
Molecular FormulaC23H24F3NO3
Molecular Weight419.44 g/mol
Exact Mass419.17
IUPAC NameN-cyclopropyl-N-[[3-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(trifluoromethyl)benzamide
SMILESO=C(c1ccccc1C(F)(F)F)N(Cc1cccc(OCC2CCCO2)c1)C1CC1
InChIInChI=1S/C23H24F3NO3/c24-23(25,26)21-9-2-1-8-20(21)22(28)27(17-10-11-17)14-16-5-3-6-18(13-16)30-15-19-7-4-12-29-19/h1-3,5-6,8-9,13,17,19H,4,7,10-12,14-15H2
InChIKeyIVMRWXIDRKVQQZ-UHFFFAOYSA-N
XLogP5.07
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.44
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-methyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]benzamide
CID 26320335
2-cyclopentyl-N-cyclopropyl-N-[[3-[[(2S)-oxan-2-yl]methoxy]phenyl]methyl]acetamide
CID 26336282
N-(oxolan-2-ylmethyl)-N-(2-phenoxyethyl)-2-(trifluoromethyl)benzamide
CID 131937852
[3-(oxolan-2-ylmethoxy)phenyl]methanol
CID 43199011
3-(oxolan-2-ylmethoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 43044159
N-cyclopentyl-N-(furan-2-ylmethyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 112817367
oxolan-2-ylmethyl 2-fluoro-3-(trifluoromethyl)benzoate
CID 79884542
1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone
CID 24697722
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-(trifluoromethyl)benzamide
CID 47024721
2-fluoro-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17141893
N-[[3-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43278533
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3-(oxolan-2-ylmethoxy)benzamide
CID 43044789

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[3-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-cyclopropyl-N-[[3-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(trifluoromethyl)benzamide (CID 45184209) is N-cyclopropyl-N-[[3-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-cyclopropyl-N-[[3-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-cyclopropyl-N-[[3-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(trifluoromethyl)benzamide is O=C(c1ccccc1C(F)(F)F)N(Cc1cccc(OCC2CCCO2)c1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[[3-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(trifluoromethyl)benzamide?
The InChIKey is IVMRWXIDRKVQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3NO3/c24-23(25,26)21-9-2-1-8-20(21)22(28)27(17-10-11-17)14-16-5-3-6-18(13-16)30-15-19-7-4-12-29-19/h1-3,5-6,8-9,13,17,19H,4,7,10-12,14-15H2.
What are the key properties of N-cyclopropyl-N-[[3-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(trifluoromethyl)benzamide?
N-cyclopropyl-N-[[3-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(trifluoromethyl)benzamide has a molecular weight of 419.44 g/mol, XLogP of 5.07, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[3-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 45184209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).