3-chloro-4-fluoro-N-(oxolan-3-ylmethyl)-N-propylbenzamide

C15H19ClFNO2 — CID 91915468

IUPAC3-chloro-4-fluoro-N-(oxolan-3-ylmethyl)-N-propylbenzamide
SMILESCCCN(CC1CCOC1)C(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H19ClFNO2/c1-2-6-18(9-11-5-7-20-10-11)15(19)12-3-4-14(17)13(16)8-12/h3-4,8,11H,2,5-7,9-10H2,1H3
InChIKeyDSTUZEOLOZWHJT-UHFFFAOYSA-N
MW299.77 g/mol
LogP3.37
Rot. Bonds5

About 3-chloro-4-fluoro-N-(oxolan-3-ylmethyl)-N-propylbenzamide

3-chloro-4-fluoro-N-(oxolan-3-ylmethyl)-N-propylbenzamide (PubChem CID 91915468) has the molecular formula C15H19ClFNO2 and a molecular weight of 299.77 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-(oxolan-3-ylmethyl)-N-propylbenzamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-(oxolan-3-ylmethyl)-N-propylbenzamide
PubChem CID91915468
Molecular FormulaC15H19ClFNO2
Molecular Weight299.77 g/mol
Exact Mass299.11
IUPAC Name3-chloro-4-fluoro-N-(oxolan-3-ylmethyl)-N-propylbenzamide
SMILESCCCN(CC1CCOC1)C(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H19ClFNO2/c1-2-6-18(9-11-5-7-20-10-11)15(19)12-3-4-14(17)13(16)8-12/h3-4,8,11H,2,5-7,9-10H2,1H3
InChIKeyDSTUZEOLOZWHJT-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 3-chloro-4-fluoro-N-(oxolan-3-ylmethyl)-N-propylbenzamide?
The IUPAC name of 3-chloro-4-fluoro-N-(oxolan-3-ylmethyl)-N-propylbenzamide (CID 91915468) is 3-chloro-4-fluoro-N-(oxolan-3-ylmethyl)-N-propylbenzamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-(oxolan-3-ylmethyl)-N-propylbenzamide?
The canonical SMILES for 3-chloro-4-fluoro-N-(oxolan-3-ylmethyl)-N-propylbenzamide is CCCN(CC1CCOC1)C(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-(oxolan-3-ylmethyl)-N-propylbenzamide?
The InChIKey is DSTUZEOLOZWHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO2/c1-2-6-18(9-11-5-7-20-10-11)15(19)12-3-4-14(17)13(16)8-12/h3-4,8,11H,2,5-7,9-10H2,1H3.
What are the key properties of 3-chloro-4-fluoro-N-(oxolan-3-ylmethyl)-N-propylbenzamide?
3-chloro-4-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 3-chloro-4-fluoro-N-(oxolan-3-ylmethyl)-N-propylbenzamide is sourced from PubChem (CID 91915468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).