4-fluoro-3-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide

C17H25FN2O — CID 63212942

IUPAC4-fluoro-3-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide
SMILESCc1cc(C(=O)NCC(C(C)C)N2CCCC2)ccc1F
InChIInChI=1S/C17H25FN2O/c1-12(2)16(20-8-4-5-9-20)11-19-17(21)14-6-7-15(18)13(3)10-14/h6-7,10,12,16H,4-5,8-9,11H2,1-3H3,(H,19,21)
InChIKeyJOCPWFBIBMWUBA-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.98
Rot. Bonds5

About 4-fluoro-3-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide

4-fluoro-3-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide (PubChem CID 63212942) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide
PubChem CID63212942
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name4-fluoro-3-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide
SMILESCc1cc(C(=O)NCC(C(C)C)N2CCCC2)ccc1F
InChIInChI=1S/C17H25FN2O/c1-12(2)16(20-8-4-5-9-20)11-19-17(21)14-6-7-15(18)13(3)10-14/h6-7,10,12,16H,4-5,8-9,11H2,1-3H3,(H,19,21)
InChIKeyJOCPWFBIBMWUBA-UHFFFAOYSA-N
XLogP2.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-3-methoxy-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzamide
CID 122145119
4-methyl-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-pyrrolidin-1-ylbenzamide
CID 92626833
3-methoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide
CID 110402974
4-fluoro-N-(4-hydroxy-2-methylpentyl)-3-methylbenzamide
CID 111447266
N-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 51943526
N-(2-cyclopropyl-2-hydroxyethyl)-4-fluoro-3-methylbenzamide
CID 63298880
3,4,5-trimethoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide
CID 110402980
4-fluoro-3-methyl-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 63213435
3,4-difluoro-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 51710589
N-(2-chloro-2-cyclopropylethyl)-4-fluoro-3-methylbenzamide
CID 114305026
N-(2-amino-2-cyclopropylethyl)-4-fluoro-3-methylbenzamide
CID 63767461
4-fluoro-3-methyl-N-(3-methylbutyl)benzamide
CID 63212522

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide?
The IUPAC name of 4-fluoro-3-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide (CID 63212942) is 4-fluoro-3-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide?
The canonical SMILES for 4-fluoro-3-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide is Cc1cc(C(=O)NCC(C(C)C)N2CCCC2)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide?
The InChIKey is JOCPWFBIBMWUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-12(2)16(20-8-4-5-9-20)11-19-17(21)14-6-7-15(18)13(3)10-14/h6-7,10,12,16H,4-5,8-9,11H2,1-3H3,(H,19,21).
What are the key properties of 4-fluoro-3-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide?
4-fluoro-3-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide has a molecular weight of 292.40 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide is sourced from PubChem (CID 63212942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).