5-fluoro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride

C14H20ClFN2O2 — CID 119537854

IUPAC5-fluoro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
SMILESCOc1ccc(F)cc1C(=O)NCCC1CCNC1.Cl
InChIInChI=1S/C14H19FN2O2.ClH/c1-19-13-3-2-11(15)8-12(13)14(18)17-7-5-10-4-6-16-9-10;/h2-3,8,10,16H,4-7,9H2,1H3,(H,17,18);1H
InChIKeyDIVVARVUGAHMSP-UHFFFAOYSA-N
MW302.78 g/mol
LogP1.99
Rot. Bonds5

About 5-fluoro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride

5-fluoro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride (PubChem CID 119537854) has the molecular formula C14H20ClFN2O2 and a molecular weight of 302.78 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name5-fluoro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
PubChem CID119537854
Molecular FormulaC14H20ClFN2O2
Molecular Weight302.78 g/mol
Exact Mass302.12
IUPAC Name5-fluoro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
SMILESCOc1ccc(F)cc1C(=O)NCCC1CCNC1.Cl
InChIInChI=1S/C14H19FN2O2.ClH/c1-19-13-3-2-11(15)8-12(13)14(18)17-7-5-10-4-6-16-9-10;/h2-3,8,10,16H,4-7,9H2,1H3,(H,17,18);1H
InChIKeyDIVVARVUGAHMSP-UHFFFAOYSA-N
XLogP1.99
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.78
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119535388
2,5-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534638
2,4-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536472
2,3,4-trimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119535878
2-methoxy-5-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119537862
1-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-3-ylethanone
CID 116583525
4-chloro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63630238
5-fluoro-2-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 55144401
2-fluoro-4-(4-methylphenyl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119533790
2-fluoro-4,5-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555478
2-(5-chloro-2-methoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119533390
4-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628906

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
The IUPAC name of 5-fluoro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride (CID 119537854) is 5-fluoro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 5-fluoro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 5-fluoro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride is COc1ccc(F)cc1C(=O)NCCC1CCNC1.Cl.
What is the InChIKey of 5-fluoro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
The InChIKey is DIVVARVUGAHMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2.ClH/c1-19-13-3-2-11(15)8-12(13)14(18)17-7-5-10-4-6-16-9-10;/h2-3,8,10,16H,4-7,9H2,1H3,(H,17,18);1H.
What are the key properties of 5-fluoro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
5-fluoro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride has a molecular weight of 302.78 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 119537854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).