5-chloro-2-fluoro-N-(oxolan-3-ylmethyl)-N-propylbenzamide

C15H19ClFNO2 — CID 91915473

IUPAC5-chloro-2-fluoro-N-(oxolan-3-ylmethyl)-N-propylbenzamide
SMILESCCCN(CC1CCOC1)C(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C15H19ClFNO2/c1-2-6-18(9-11-5-7-20-10-11)15(19)13-8-12(16)3-4-14(13)17/h3-4,8,11H,2,5-7,9-10H2,1H3
InChIKeyIFSLYKWYBOMYKK-UHFFFAOYSA-N
MW299.77 g/mol
LogP3.37
Rot. Bonds5

About 5-chloro-2-fluoro-N-(oxolan-3-ylmethyl)-N-propylbenzamide

5-chloro-2-fluoro-N-(oxolan-3-ylmethyl)-N-propylbenzamide (PubChem CID 91915473) has the molecular formula C15H19ClFNO2 and a molecular weight of 299.77 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-(oxolan-3-ylmethyl)-N-propylbenzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-(oxolan-3-ylmethyl)-N-propylbenzamide
PubChem CID91915473
Molecular FormulaC15H19ClFNO2
Molecular Weight299.77 g/mol
Exact Mass299.11
IUPAC Name5-chloro-2-fluoro-N-(oxolan-3-ylmethyl)-N-propylbenzamide
SMILESCCCN(CC1CCOC1)C(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C15H19ClFNO2/c1-2-6-18(9-11-5-7-20-10-11)15(19)13-8-12(16)3-4-14(13)17/h3-4,8,11H,2,5-7,9-10H2,1H3
InChIKeyIFSLYKWYBOMYKK-UHFFFAOYSA-N
XLogP3.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.77
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-(oxolan-3-ylmethyl)-N-propylbenzamide?
The IUPAC name of 5-chloro-2-fluoro-N-(oxolan-3-ylmethyl)-N-propylbenzamide (CID 91915473) is 5-chloro-2-fluoro-N-(oxolan-3-ylmethyl)-N-propylbenzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-(oxolan-3-ylmethyl)-N-propylbenzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-(oxolan-3-ylmethyl)-N-propylbenzamide is CCCN(CC1CCOC1)C(=O)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-(oxolan-3-ylmethyl)-N-propylbenzamide?
The InChIKey is IFSLYKWYBOMYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO2/c1-2-6-18(9-11-5-7-20-10-11)15(19)13-8-12(16)3-4-14(13)17/h3-4,8,11H,2,5-7,9-10H2,1H3.
What are the key properties of 5-chloro-2-fluoro-N-(oxolan-3-ylmethyl)-N-propylbenzamide?
5-chloro-2-fluoro-N-(oxolan-3-ylmethyl)-N-propylbenzamide has a molecular weight of 299.77 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-(oxolan-3-ylmethyl)-N-propylbenzamide is sourced from PubChem (CID 91915473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).