5-fluoro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride

C13H18ClFN2O — CID 119513769

IUPAC5-fluoro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
SMILESCc1ccc(F)cc1C(=O)NCC1CCCN1.Cl
InChIInChI=1S/C13H17FN2O.ClH/c1-9-4-5-10(14)7-12(9)13(17)16-8-11-3-2-6-15-11;/h4-5,7,11,15H,2-3,6,8H2,1H3,(H,16,17);1H
InChIKeyDDTFHWLZKGDQRA-UHFFFAOYSA-N
MW272.75 g/mol
LogP2.04
Rot. Bonds3

About 5-fluoro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride

5-fluoro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride (PubChem CID 119513769) has the molecular formula C13H18ClFN2O and a molecular weight of 272.75 g/mol. Its IUPAC name is 5-fluoro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name5-fluoro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
PubChem CID119513769
Molecular FormulaC13H18ClFN2O
Molecular Weight272.75 g/mol
Exact Mass272.11
IUPAC Name5-fluoro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
SMILESCc1ccc(F)cc1C(=O)NCC1CCCN1.Cl
InChIInChI=1S/C13H17FN2O.ClH/c1-9-4-5-10(14)7-12(9)13(17)16-8-11-3-2-6-15-11;/h4-5,7,11,15H,2-3,6,8H2,1H3,(H,16,17);1H
InChIKeyDDTFHWLZKGDQRA-UHFFFAOYSA-N
XLogP2.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.75
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-fluoro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-fluoro-2-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 55182007
5-fluoro-2-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793819
2,4-difluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 62542167
2-fluoro-4-methyl-N-(piperidin-2-ylmethyl)benzamide;hydrochloride
CID 84586603
5-fluoro-3-methyl-N-(pyrrolidin-2-ylmethyl)-1-benzothiophene-2-carboxamide;hydrochloride
CID 119510947
2,5-dimethyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793749
5-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylbenzamide;hydrochloride
CID 120946846
5-fluoro-2-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 55144401
N-butyl-5-fluoro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611857
4,5-difluoro-2-iodo-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119510964
3-(4-fluorophenyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;hydrochloride
CID 154911098
3-methoxy-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119509893

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
The IUPAC name of 5-fluoro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride (CID 119513769) is 5-fluoro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for 5-fluoro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for 5-fluoro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride is Cc1ccc(F)cc1C(=O)NCC1CCCN1.Cl.
What is the InChIKey of 5-fluoro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
The InChIKey is DDTFHWLZKGDQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O.ClH/c1-9-4-5-10(14)7-12(9)13(17)16-8-11-3-2-6-15-11;/h4-5,7,11,15H,2-3,6,8H2,1H3,(H,16,17);1H.
What are the key properties of 5-fluoro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
5-fluoro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride has a molecular weight of 272.75 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 119513769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).