N-cyclopropyl-2,6-difluoro-N-(oxolan-3-ylmethyl)benzamide

C15H17F2NO2 — CID 110875798

IUPACN-cyclopropyl-2,6-difluoro-N-(oxolan-3-ylmethyl)benzamide
SMILESO=C(c1c(F)cccc1F)N(CC1CCOC1)C1CC1
InChIInChI=1S/C15H17F2NO2/c16-12-2-1-3-13(17)14(12)15(19)18(11-4-5-11)8-10-6-7-20-9-10/h1-3,10-11H,4-9H2
InChIKeySAQWDPZNAPACNF-UHFFFAOYSA-N
MW281.30 g/mol
LogP2.61
Rot. Bonds4

About N-cyclopropyl-2,6-difluoro-N-(oxolan-3-ylmethyl)benzamide

N-cyclopropyl-2,6-difluoro-N-(oxolan-3-ylmethyl)benzamide (PubChem CID 110875798) has the molecular formula C15H17F2NO2 and a molecular weight of 281.30 g/mol. Its IUPAC name is N-cyclopropyl-2,6-difluoro-N-(oxolan-3-ylmethyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2,6-difluoro-N-(oxolan-3-ylmethyl)benzamide
PubChem CID110875798
Molecular FormulaC15H17F2NO2
Molecular Weight281.30 g/mol
Exact Mass281.12
IUPAC NameN-cyclopropyl-2,6-difluoro-N-(oxolan-3-ylmethyl)benzamide
SMILESO=C(c1c(F)cccc1F)N(CC1CCOC1)C1CC1
InChIInChI=1S/C15H17F2NO2/c16-12-2-1-3-13(17)14(12)15(19)18(11-4-5-11)8-10-6-7-20-9-10/h1-3,10-11H,4-9H2
InChIKeySAQWDPZNAPACNF-UHFFFAOYSA-N
XLogP2.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,6-difluoro-N-(oxolan-3-ylmethyl)benzamide?
The IUPAC name of N-cyclopropyl-2,6-difluoro-N-(oxolan-3-ylmethyl)benzamide (CID 110875798) is N-cyclopropyl-2,6-difluoro-N-(oxolan-3-ylmethyl)benzamide.
What is the SMILES notation for N-cyclopropyl-2,6-difluoro-N-(oxolan-3-ylmethyl)benzamide?
The canonical SMILES for N-cyclopropyl-2,6-difluoro-N-(oxolan-3-ylmethyl)benzamide is O=C(c1c(F)cccc1F)N(CC1CCOC1)C1CC1.
What is the InChIKey of N-cyclopropyl-2,6-difluoro-N-(oxolan-3-ylmethyl)benzamide?
The InChIKey is SAQWDPZNAPACNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO2/c16-12-2-1-3-13(17)14(12)15(19)18(11-4-5-11)8-10-6-7-20-9-10/h1-3,10-11H,4-9H2.
What are the key properties of N-cyclopropyl-2,6-difluoro-N-(oxolan-3-ylmethyl)benzamide?
N-cyclopropyl-2,6-difluoro-N-(oxolan-3-ylmethyl)benzamide has a molecular weight of 281.30 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,6-difluoro-N-(oxolan-3-ylmethyl)benzamide is sourced from PubChem (CID 110875798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).