3-chloro-N-(2-cyclopropyl-2-pyrrolidin-1-ylethyl)-4-fluoro-N-methylbenzamide

C17H22ClFN2O — CID 67812205

IUPAC3-chloro-N-(2-cyclopropyl-2-pyrrolidin-1-ylethyl)-4-fluoro-N-methylbenzamide
SMILESCN(CC(C1CC1)N1CCCC1)C(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C17H22ClFN2O/c1-20(17(22)13-6-7-15(19)14(18)10-13)11-16(12-4-5-12)21-8-2-3-9-21/h6-7,10,12,16H,2-5,8-9,11H2,1H3
InChIKeyXPEPRYZBXMGUEF-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.43
Rot. Bonds5

About 3-chloro-N-(2-cyclopropyl-2-pyrrolidin-1-ylethyl)-4-fluoro-N-methylbenzamide

3-chloro-N-(2-cyclopropyl-2-pyrrolidin-1-ylethyl)-4-fluoro-N-methylbenzamide (PubChem CID 67812205) has the molecular formula C17H22ClFN2O and a molecular weight of 324.83 g/mol. Its IUPAC name is 3-chloro-N-(2-cyclopropyl-2-pyrrolidin-1-ylethyl)-4-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-(2-cyclopropyl-2-pyrrolidin-1-ylethyl)-4-fluoro-N-methylbenzamide
PubChem CID67812205
Molecular FormulaC17H22ClFN2O
Molecular Weight324.83 g/mol
Exact Mass324.14
IUPAC Name3-chloro-N-(2-cyclopropyl-2-pyrrolidin-1-ylethyl)-4-fluoro-N-methylbenzamide
SMILESCN(CC(C1CC1)N1CCCC1)C(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C17H22ClFN2O/c1-20(17(22)13-6-7-15(19)14(18)10-13)11-16(12-4-5-12)21-8-2-3-9-21/h6-7,10,12,16H,2-5,8-9,11H2,1H3
InChIKeyXPEPRYZBXMGUEF-UHFFFAOYSA-N
XLogP3.43
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-cyclopropyl-2-pyrrolidin-1-ylethyl)-4-fluoro-N-methylbenzamide?
The IUPAC name of 3-chloro-N-(2-cyclopropyl-2-pyrrolidin-1-ylethyl)-4-fluoro-N-methylbenzamide (CID 67812205) is 3-chloro-N-(2-cyclopropyl-2-pyrrolidin-1-ylethyl)-4-fluoro-N-methylbenzamide.
What is the SMILES notation for 3-chloro-N-(2-cyclopropyl-2-pyrrolidin-1-ylethyl)-4-fluoro-N-methylbenzamide?
The canonical SMILES for 3-chloro-N-(2-cyclopropyl-2-pyrrolidin-1-ylethyl)-4-fluoro-N-methylbenzamide is CN(CC(C1CC1)N1CCCC1)C(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(2-cyclopropyl-2-pyrrolidin-1-ylethyl)-4-fluoro-N-methylbenzamide?
The InChIKey is XPEPRYZBXMGUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClFN2O/c1-20(17(22)13-6-7-15(19)14(18)10-13)11-16(12-4-5-12)21-8-2-3-9-21/h6-7,10,12,16H,2-5,8-9,11H2,1H3.
What are the key properties of 3-chloro-N-(2-cyclopropyl-2-pyrrolidin-1-ylethyl)-4-fluoro-N-methylbenzamide?
3-chloro-N-(2-cyclopropyl-2-pyrrolidin-1-ylethyl)-4-fluoro-N-methylbenzamide has a molecular weight of 324.83 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-cyclopropyl-2-pyrrolidin-1-ylethyl)-4-fluoro-N-methylbenzamide is sourced from PubChem (CID 67812205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).