2-fluoro-N-[(2-methylpyrrolidin-2-yl)methyl]benzamide

C13H17FN2O — CID 114761726

IUPAC2-fluoro-N-[(2-methylpyrrolidin-2-yl)methyl]benzamide
SMILESCC1(CNC(=O)c2ccccc2F)CCCN1
InChIInChI=1S/C13H17FN2O/c1-13(7-4-8-16-13)9-15-12(17)10-5-2-3-6-11(10)14/h2-3,5-6,16H,4,7-9H2,1H3,(H,15,17)
InChIKeyULXNXPGMPCZJDB-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.70
Rot. Bonds3

About 2-fluoro-N-[(2-methylpyrrolidin-2-yl)methyl]benzamide

2-fluoro-N-[(2-methylpyrrolidin-2-yl)methyl]benzamide (PubChem CID 114761726) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-fluoro-N-[(2-methylpyrrolidin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(2-methylpyrrolidin-2-yl)methyl]benzamide
PubChem CID114761726
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name2-fluoro-N-[(2-methylpyrrolidin-2-yl)methyl]benzamide
SMILESCC1(CNC(=O)c2ccccc2F)CCCN1
InChIInChI=1S/C13H17FN2O/c1-13(7-4-8-16-13)9-15-12(17)10-5-2-3-6-11(10)14/h2-3,5-6,16H,4,7-9H2,1H3,(H,15,17)
InChIKeyULXNXPGMPCZJDB-UHFFFAOYSA-N
XLogP1.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-[(1-methylsulfanylcyclohexyl)methyl]benzamide
CID 114115942
2,5-dihydroxy-N-[(2-methylpyrrolidin-2-yl)methyl]benzamide
CID 107721880
N-[(2-methylpyrrolidin-2-yl)methyl]furan-3-carboxamide
CID 114761851
2-hydroxy-4-methoxy-N-[(2-methylpyrrolidin-2-yl)methyl]benzamide
CID 114761721
N-[(2-methylpyrrolidin-2-yl)methyl]-3-(trifluoromethyl)benzamide
CID 114761880
2-fluoro-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]benzamide
CID 110444105
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-fluorobenzamide
CID 42265696
N-[(2-methylpyrrolidin-2-yl)methyl]propanamide
CID 114761754
2-fluoro-N-[(7-methyl-1-tetracyclo[4.2.0.02,5.03,8]octanyl)methyl]benzamide
CID 71090765
2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 79359338
2-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide;hydrochloride
CID 20995028
3-methoxy-4-methyl-N-[(2-methylpyrrolidin-2-yl)methyl]benzamide
CID 114761937

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2-methylpyrrolidin-2-yl)methyl]benzamide?
The IUPAC name of 2-fluoro-N-[(2-methylpyrrolidin-2-yl)methyl]benzamide (CID 114761726) is 2-fluoro-N-[(2-methylpyrrolidin-2-yl)methyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[(2-methylpyrrolidin-2-yl)methyl]benzamide?
The canonical SMILES for 2-fluoro-N-[(2-methylpyrrolidin-2-yl)methyl]benzamide is CC1(CNC(=O)c2ccccc2F)CCCN1.
What is the InChIKey of 2-fluoro-N-[(2-methylpyrrolidin-2-yl)methyl]benzamide?
The InChIKey is ULXNXPGMPCZJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-13(7-4-8-16-13)9-15-12(17)10-5-2-3-6-11(10)14/h2-3,5-6,16H,4,7-9H2,1H3,(H,15,17).
What are the key properties of 2-fluoro-N-[(2-methylpyrrolidin-2-yl)methyl]benzamide?
2-fluoro-N-[(2-methylpyrrolidin-2-yl)methyl]benzamide has a molecular weight of 236.29 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(2-methylpyrrolidin-2-yl)methyl]benzamide is sourced from PubChem (CID 114761726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).