2-fluoro-4-(4-methylphenyl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride

C20H24ClFN2O — CID 119533790

IUPAC2-fluoro-4-(4-methylphenyl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
SMILESCc1ccc(-c2ccc(C(=O)NCCC3CCNC3)c(F)c2)cc1.Cl
InChIInChI=1S/C20H23FN2O.ClH/c1-14-2-4-16(5-3-14)17-6-7-18(19(21)12-17)20(24)23-11-9-15-8-10-22-13-15;/h2-7,12,15,22H,8-11,13H2,1H3,(H,23,24);1H
InChIKeyZWSHCXGGIMAFKE-UHFFFAOYSA-N
MW362.88 g/mol
LogP3.95
Rot. Bonds5

About 2-fluoro-4-(4-methylphenyl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride

2-fluoro-4-(4-methylphenyl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride (PubChem CID 119533790) has the molecular formula C20H24ClFN2O and a molecular weight of 362.88 g/mol. Its IUPAC name is 2-fluoro-4-(4-methylphenyl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-fluoro-4-(4-methylphenyl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
PubChem CID119533790
Molecular FormulaC20H24ClFN2O
Molecular Weight362.88 g/mol
Exact Mass362.16
IUPAC Name2-fluoro-4-(4-methylphenyl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
SMILESCc1ccc(-c2ccc(C(=O)NCCC3CCNC3)c(F)c2)cc1.Cl
InChIInChI=1S/C20H23FN2O.ClH/c1-14-2-4-16(5-3-14)17-6-7-18(19(21)12-17)20(24)23-11-9-15-8-10-22-13-15;/h2-7,12,15,22H,8-11,13H2,1H3,(H,23,24);1H
InChIKeyZWSHCXGGIMAFKE-UHFFFAOYSA-N
XLogP3.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536472
2,5-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534638
5-fluoro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537854
4-(3,4-dimethylphenyl)-2-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462137
2-chloro-4,5-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536489
3-fluoro-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63622867
2,6-dimethyl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride
CID 119537084
2-[(2-fluorobenzoyl)amino]-3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119538084
2,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119535388
2-methyl-4-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63624159
3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536491
2-chloro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 106862146

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(4-methylphenyl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
The IUPAC name of 2-fluoro-4-(4-methylphenyl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride (CID 119533790) is 2-fluoro-4-(4-methylphenyl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 2-fluoro-4-(4-methylphenyl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 2-fluoro-4-(4-methylphenyl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride is Cc1ccc(-c2ccc(C(=O)NCCC3CCNC3)c(F)c2)cc1.Cl.
What is the InChIKey of 2-fluoro-4-(4-methylphenyl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
The InChIKey is ZWSHCXGGIMAFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O.ClH/c1-14-2-4-16(5-3-14)17-6-7-18(19(21)12-17)20(24)23-11-9-15-8-10-22-13-15;/h2-7,12,15,22H,8-11,13H2,1H3,(H,23,24);1H.
What are the key properties of 2-fluoro-4-(4-methylphenyl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
2-fluoro-4-(4-methylphenyl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride has a molecular weight of 362.88 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(4-methylphenyl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 119533790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).