5-fluoro-2-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide

C14H19FN2O — CID 114793819

IUPAC5-fluoro-2-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide
SMILESCc1ccc(F)cc1C(=O)NCCC1CCCN1
InChIInChI=1S/C14H19FN2O/c1-10-4-5-11(15)9-13(10)14(18)17-8-6-12-3-2-7-16-12/h4-5,9,12,16H,2-3,6-8H2,1H3,(H,17,18)
InChIKeyRQMNSZMYYOQLAG-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.01
Rot. Bonds4

About 5-fluoro-2-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide

5-fluoro-2-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide (PubChem CID 114793819) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 5-fluoro-2-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide.

Molecular Properties

Compound Name5-fluoro-2-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide
PubChem CID114793819
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name5-fluoro-2-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide
SMILESCc1ccc(F)cc1C(=O)NCCC1CCCN1
InChIInChI=1S/C14H19FN2O/c1-10-4-5-11(15)9-13(10)14(18)17-8-6-12-3-2-7-16-12/h4-5,9,12,16H,2-3,6-8H2,1H3,(H,17,18)
InChIKeyRQMNSZMYYOQLAG-UHFFFAOYSA-N
XLogP2.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513769
2,5-dimethyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793749
5-fluoro-2-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 55182007
5-chloro-2-fluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104971959
5-chloro-2-fluoro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide
CID 104955212
5-fluoro-2-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 55144401
2,6-difluoro-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793746
2-hydroxy-5-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide
CID 104972264
6-methyl-4-oxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyridine-3-carboxamide
CID 104955353
2-bromo-4-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104971649
5-bromo-2-fluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104972072
1,5,6-trimethyl-2-oxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyridine-3-carboxamide
CID 74231255

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide?
The IUPAC name of 5-fluoro-2-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide (CID 114793819) is 5-fluoro-2-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide.
What is the SMILES notation for 5-fluoro-2-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide?
The canonical SMILES for 5-fluoro-2-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide is Cc1ccc(F)cc1C(=O)NCCC1CCCN1.
What is the InChIKey of 5-fluoro-2-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide?
The InChIKey is RQMNSZMYYOQLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-10-4-5-11(15)9-13(10)14(18)17-8-6-12-3-2-7-16-12/h4-5,9,12,16H,2-3,6-8H2,1H3,(H,17,18).
What are the key properties of 5-fluoro-2-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide?
5-fluoro-2-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide has a molecular weight of 250.32 g/mol, XLogP of 2.01, 4 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-(2-pyrrolidin-2-ylethyl)benzamide is sourced from PubChem (CID 114793819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).