ethane;2-fluoro-N-[(5-methylpyrrolidin-3-yl)methyl]benzamide

C17H29FN2O — CID 171817523

IUPACethane;2-fluoro-N-[(5-methylpyrrolidin-3-yl)methyl]benzamide
SMILESCC.CC.CC1CC(CNC(=O)c2ccccc2F)CN1
InChIInChI=1S/C13H17FN2O.2C2H6/c1-9-6-10(7-15-9)8-16-13(17)11-4-2-3-5-12(11)14;2*1-2/h2-5,9-10,15H,6-8H2,1H3,(H,16,17);2*1-2H3
InChIKeyLIWUGMPXSYUPHM-UHFFFAOYSA-N
MW296.43 g/mol
LogP3.61
Rot. Bonds3

About ethane;2-fluoro-N-[(5-methylpyrrolidin-3-yl)methyl]benzamide

ethane;2-fluoro-N-[(5-methylpyrrolidin-3-yl)methyl]benzamide (PubChem CID 171817523) has the molecular formula C17H29FN2O and a molecular weight of 296.43 g/mol. Its IUPAC name is ethane;2-fluoro-N-[(5-methylpyrrolidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Nameethane;2-fluoro-N-[(5-methylpyrrolidin-3-yl)methyl]benzamide
PubChem CID171817523
Molecular FormulaC17H29FN2O
Molecular Weight296.43 g/mol
Exact Mass296.23
IUPAC Nameethane;2-fluoro-N-[(5-methylpyrrolidin-3-yl)methyl]benzamide
SMILESCC.CC.CC1CC(CNC(=O)c2ccccc2F)CN1
InChIInChI=1S/C13H17FN2O.2C2H6/c1-9-6-10(7-15-9)8-16-13(17)11-4-2-3-5-12(11)14;2*1-2/h2-5,9-10,15H,6-8H2,1H3,(H,16,17);2*1-2H3
InChIKeyLIWUGMPXSYUPHM-UHFFFAOYSA-N
XLogP3.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.43
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-4-(4-methoxyphenyl)-N-[(5-methylpyrrolidin-3-yl)methyl]benzamide
CID 167941997
2,6-difluoro-N-[(6-methylpiperidin-3-yl)methyl]benzamide
CID 63008866
2-hydroxy-N-[(6-methylpiperidin-3-yl)methyl]benzamide
CID 63008147
2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 79359338
2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 51090077
3-fluoro-N-[(6-methylpiperidin-3-yl)methyl]benzamide
CID 63007971
N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2-fluorobenzamide
CID 93422584
N-(cyclopentylmethyl)-2,3-difluorobenzamide
CID 62649354
2-fluoro-N-(2-piperidin-4-ylethyl)benzamide
CID 54943614
2-methyl-N-[[5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 69242771
2-methoxy-5-methyl-N-[(6-methylpiperidin-3-yl)methyl]benzamide
CID 63009230
2-fluoro-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzamide
CID 16895768

Frequently Asked Questions

What is the IUPAC name of ethane;2-fluoro-N-[(5-methylpyrrolidin-3-yl)methyl]benzamide?
The IUPAC name of ethane;2-fluoro-N-[(5-methylpyrrolidin-3-yl)methyl]benzamide (CID 171817523) is ethane;2-fluoro-N-[(5-methylpyrrolidin-3-yl)methyl]benzamide.
What is the SMILES notation for ethane;2-fluoro-N-[(5-methylpyrrolidin-3-yl)methyl]benzamide?
The canonical SMILES for ethane;2-fluoro-N-[(5-methylpyrrolidin-3-yl)methyl]benzamide is CC.CC.CC1CC(CNC(=O)c2ccccc2F)CN1.
What is the InChIKey of ethane;2-fluoro-N-[(5-methylpyrrolidin-3-yl)methyl]benzamide?
The InChIKey is LIWUGMPXSYUPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O.2C2H6/c1-9-6-10(7-15-9)8-16-13(17)11-4-2-3-5-12(11)14;2*1-2/h2-5,9-10,15H,6-8H2,1H3,(H,16,17);2*1-2H3.
What are the key properties of ethane;2-fluoro-N-[(5-methylpyrrolidin-3-yl)methyl]benzamide?
ethane;2-fluoro-N-[(5-methylpyrrolidin-3-yl)methyl]benzamide has a molecular weight of 296.43 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-fluoro-N-[(5-methylpyrrolidin-3-yl)methyl]benzamide is sourced from PubChem (CID 171817523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).