2-fluoro-4,5-dimethoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride

C16H24ClFN2O3 — CID 119530172

IUPAC2-fluoro-4,5-dimethoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCCCN(C(=O)c1cc(OC)c(OC)cc1F)C1CCNC1.Cl
InChIInChI=1S/C16H23FN2O3.ClH/c1-4-7-19(11-5-6-18-10-11)16(20)12-8-14(21-2)15(22-3)9-13(12)17;/h8-9,11,18H,4-7,10H2,1-3H3;1H
InChIKeyOPDKKCWPGHPMAC-UHFFFAOYSA-N
MW346.83 g/mol
LogP2.48
Rot. Bonds6

About 2-fluoro-4,5-dimethoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride

2-fluoro-4,5-dimethoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride (PubChem CID 119530172) has the molecular formula C16H24ClFN2O3 and a molecular weight of 346.83 g/mol. Its IUPAC name is 2-fluoro-4,5-dimethoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name2-fluoro-4,5-dimethoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
PubChem CID119530172
Molecular FormulaC16H24ClFN2O3
Molecular Weight346.83 g/mol
Exact Mass346.15
IUPAC Name2-fluoro-4,5-dimethoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCCCN(C(=O)c1cc(OC)c(OC)cc1F)C1CCNC1.Cl
InChIInChI=1S/C16H23FN2O3.ClH/c1-4-7-19(11-5-6-18-10-11)16(20)12-8-14(21-2)15(22-3)9-13(12)17;/h8-9,11,18H,4-7,10H2,1-3H3;1H
InChIKeyOPDKKCWPGHPMAC-UHFFFAOYSA-N
XLogP2.48
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.83
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4,5-trimethoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530647
2-bromo-5-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119529988
3-methoxy-4-propan-2-yloxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532395
2-fluoro-4-(4-methoxyphenyl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119825125
3-methoxy-N-propyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
CID 81119139
2-bromo-5-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 63300965
2,5-dichloro-N-propyl-N-pyrrolidin-3-ylthiophene-3-carboxamide
CID 103806544
3-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119533031
2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 60805843
2,3-dimethoxy-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119826026
2-(5-chloro-2-methoxyphenyl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 119529826
3-acetamido-4,5-dimethoxy-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 119530168

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4,5-dimethoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 2-fluoro-4,5-dimethoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride (CID 119530172) is 2-fluoro-4,5-dimethoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 2-fluoro-4,5-dimethoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 2-fluoro-4,5-dimethoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride is CCCN(C(=O)c1cc(OC)c(OC)cc1F)C1CCNC1.Cl.
What is the InChIKey of 2-fluoro-4,5-dimethoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The InChIKey is OPDKKCWPGHPMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3.ClH/c1-4-7-19(11-5-6-18-10-11)16(20)12-8-14(21-2)15(22-3)9-13(12)17;/h8-9,11,18H,4-7,10H2,1-3H3;1H.
What are the key properties of 2-fluoro-4,5-dimethoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
2-fluoro-4,5-dimethoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride has a molecular weight of 346.83 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4,5-dimethoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119530172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).