2-fluoro-4-(4-methoxyphenyl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride

C22H28ClFN2O2 — CID 119825125

IUPAC2-fluoro-4-(4-methoxyphenyl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
SMILESCCCN(C(=O)c1ccc(-c2ccc(OC)cc2)cc1F)C1CCNCC1.Cl
InChIInChI=1S/C22H27FN2O2.ClH/c1-3-14-25(18-10-12-24-13-11-18)22(26)20-9-6-17(15-21(20)23)16-4-7-19(27-2)8-5-16;/h4-9,15,18,24H,3,10-14H2,1-2H3;1H
InChIKeyJCUPZDIGCGPFKM-UHFFFAOYSA-N
MW406.93 g/mol
LogP4.53
Rot. Bonds6

About 2-fluoro-4-(4-methoxyphenyl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride

2-fluoro-4-(4-methoxyphenyl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride (PubChem CID 119825125) has the molecular formula C22H28ClFN2O2 and a molecular weight of 406.93 g/mol. Its IUPAC name is 2-fluoro-4-(4-methoxyphenyl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride.

Molecular Properties

Compound Name2-fluoro-4-(4-methoxyphenyl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
PubChem CID119825125
Molecular FormulaC22H28ClFN2O2
Molecular Weight406.93 g/mol
Exact Mass406.18
IUPAC Name2-fluoro-4-(4-methoxyphenyl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
SMILESCCCN(C(=O)c1ccc(-c2ccc(OC)cc2)cc1F)C1CCNCC1.Cl
InChIInChI=1S/C22H27FN2O2.ClH/c1-3-14-25(18-10-12-24-13-11-18)22(26)20-9-6-17(15-21(20)23)16-4-7-19(27-2)8-5-16;/h4-9,15,18,24H,3,10-14H2,1-2H3;1H
InChIKeyJCUPZDIGCGPFKM-UHFFFAOYSA-N
XLogP4.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.93
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-4,5-dimethoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530172
2-bromo-5-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119529988
2,3-dimethoxy-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119826026
2-bromo-5-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 63300965
6-methoxy-N-piperidin-4-yl-N-propyl-2H-chromene-3-carboxamide;hydrochloride
CID 119824120
2-[cyclopropyl-[2-fluoro-4-(4-methoxyphenyl)benzoyl]amino]propanoic acid
CID 119202322
N-piperidin-4-yl-N-propylnaphthalene-1-carboxamide
CID 119824426
4-bromo-N-ethyl-2-fluoro-N-piperidin-4-ylbenzamide
CID 54923872
2-(4-methoxyphenyl)-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride
CID 119531891
2-chloro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119826015
3-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119533031
3-methoxy-4-methyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823113

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(4-methoxyphenyl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
The IUPAC name of 2-fluoro-4-(4-methoxyphenyl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride (CID 119825125) is 2-fluoro-4-(4-methoxyphenyl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride.
What is the SMILES notation for 2-fluoro-4-(4-methoxyphenyl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
The canonical SMILES for 2-fluoro-4-(4-methoxyphenyl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride is CCCN(C(=O)c1ccc(-c2ccc(OC)cc2)cc1F)C1CCNCC1.Cl.
What is the InChIKey of 2-fluoro-4-(4-methoxyphenyl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
The InChIKey is JCUPZDIGCGPFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O2.ClH/c1-3-14-25(18-10-12-24-13-11-18)22(26)20-9-6-17(15-21(20)23)16-4-7-19(27-2)8-5-16;/h4-9,15,18,24H,3,10-14H2,1-2H3;1H.
What are the key properties of 2-fluoro-4-(4-methoxyphenyl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
2-fluoro-4-(4-methoxyphenyl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride has a molecular weight of 406.93 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(4-methoxyphenyl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride is sourced from PubChem (CID 119825125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).