N-cyclopropyl-2-fluoro-5-methyl-N-(oxolan-3-ylmethyl)benzamide

C16H20FNO2 — CID 62512181

IUPACN-cyclopropyl-2-fluoro-5-methyl-N-(oxolan-3-ylmethyl)benzamide
SMILESCc1ccc(F)c(C(=O)N(CC2CCOC2)C2CC2)c1
InChIInChI=1S/C16H20FNO2/c1-11-2-5-15(17)14(8-11)16(19)18(13-3-4-13)9-12-6-7-20-10-12/h2,5,8,12-13H,3-4,6-7,9-10H2,1H3
InChIKeyKYWJLLAQJAYKGA-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.78
Rot. Bonds4

About N-cyclopropyl-2-fluoro-5-methyl-N-(oxolan-3-ylmethyl)benzamide

N-cyclopropyl-2-fluoro-5-methyl-N-(oxolan-3-ylmethyl)benzamide (PubChem CID 62512181) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is N-cyclopropyl-2-fluoro-5-methyl-N-(oxolan-3-ylmethyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-fluoro-5-methyl-N-(oxolan-3-ylmethyl)benzamide
PubChem CID62512181
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC NameN-cyclopropyl-2-fluoro-5-methyl-N-(oxolan-3-ylmethyl)benzamide
SMILESCc1ccc(F)c(C(=O)N(CC2CCOC2)C2CC2)c1
InChIInChI=1S/C16H20FNO2/c1-11-2-5-15(17)14(8-11)16(19)18(13-3-4-13)9-12-6-7-20-10-12/h2,5,8,12-13H,3-4,6-7,9-10H2,1H3
InChIKeyKYWJLLAQJAYKGA-UHFFFAOYSA-N
XLogP2.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-fluoro-5-methyl-N-(oxolan-3-ylmethyl)benzamide?
The IUPAC name of N-cyclopropyl-2-fluoro-5-methyl-N-(oxolan-3-ylmethyl)benzamide (CID 62512181) is N-cyclopropyl-2-fluoro-5-methyl-N-(oxolan-3-ylmethyl)benzamide.
What is the SMILES notation for N-cyclopropyl-2-fluoro-5-methyl-N-(oxolan-3-ylmethyl)benzamide?
The canonical SMILES for N-cyclopropyl-2-fluoro-5-methyl-N-(oxolan-3-ylmethyl)benzamide is Cc1ccc(F)c(C(=O)N(CC2CCOC2)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-2-fluoro-5-methyl-N-(oxolan-3-ylmethyl)benzamide?
The InChIKey is KYWJLLAQJAYKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO2/c1-11-2-5-15(17)14(8-11)16(19)18(13-3-4-13)9-12-6-7-20-10-12/h2,5,8,12-13H,3-4,6-7,9-10H2,1H3.
What are the key properties of N-cyclopropyl-2-fluoro-5-methyl-N-(oxolan-3-ylmethyl)benzamide?
N-cyclopropyl-2-fluoro-5-methyl-N-(oxolan-3-ylmethyl)benzamide has a molecular weight of 277.34 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-fluoro-5-methyl-N-(oxolan-3-ylmethyl)benzamide is sourced from PubChem (CID 62512181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).