N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide

C22H23F3N2O2 — CID 44571492

IUPACN-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESO=C(c1ccc(-c2ncccc2C(F)(F)F)cc1)N(CC1CC1)CC1CCCO1
InChIInChI=1S/C22H23F3N2O2/c23-22(24,25)19-4-1-11-26-20(19)16-7-9-17(10-8-16)21(28)27(13-15-5-6-15)14-18-3-2-12-29-18/h1,4,7-11,15,18H,2-3,5-6,12-14H2
InChIKeyBEWWKHUWENFXDW-UHFFFAOYSA-N
MW404.43 g/mol
LogP4.80
Rot. Bonds6

About N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide

N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 44571492) has the molecular formula C22H23F3N2O2 and a molecular weight of 404.43 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID44571492
Molecular FormulaC22H23F3N2O2
Molecular Weight404.43 g/mol
Exact Mass404.17
IUPAC NameN-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESO=C(c1ccc(-c2ncccc2C(F)(F)F)cc1)N(CC1CC1)CC1CCCO1
InChIInChI=1S/C22H23F3N2O2/c23-22(24,25)19-4-1-11-26-20(19)16-7-9-17(10-8-16)21(28)27(13-15-5-6-15)14-18-3-2-12-29-18/h1,4,7-11,15,18H,2-3,5-6,12-14H2
InChIKeyBEWWKHUWENFXDW-UHFFFAOYSA-N
XLogP4.80
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
The IUPAC name of N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide (CID 44571492) is N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide is O=C(c1ccc(-c2ncccc2C(F)(F)F)cc1)N(CC1CC1)CC1CCCO1.
What is the InChIKey of N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is BEWWKHUWENFXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2O2/c23-22(24,25)19-4-1-11-26-20(19)16-7-9-17(10-8-16)21(28)27(13-15-5-6-15)14-18-3-2-12-29-18/h1,4,7-11,15,18H,2-3,5-6,12-14H2.
What are the key properties of N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 404.43 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 44571492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).