3-fluoro-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide

C14H19FN2O — CID 63622867

IUPAC3-fluoro-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
SMILESCc1ccc(C(=O)NCCC2CCNC2)cc1F
InChIInChI=1S/C14H19FN2O/c1-10-2-3-12(8-13(10)15)14(18)17-7-5-11-4-6-16-9-11/h2-3,8,11,16H,4-7,9H2,1H3,(H,17,18)
InChIKeyGHRNJWYYYUQPQT-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.86
Rot. Bonds4

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

3-fluoro-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide (PubChem CID 63622867) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
PubChem CID63622867
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name3-fluoro-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
SMILESCc1ccc(C(=O)NCCC2CCNC2)cc1F
InChIInChI=1S/C14H19FN2O/c1-10-2-3-12(8-13(10)15)14(18)17-7-5-11-4-6-16-9-11/h2-3,8,11,16H,4-7,9H2,1H3,(H,17,18)
InChIKeyGHRNJWYYYUQPQT-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556963
3,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537772
4-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628906
3-methoxy-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63624894
N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]pyrrolidine-3-carboxamide
CID 119704149
3-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628909
3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536491
4-chloro-3-fluoro-N-(2-piperidin-3-ylethyl)benzamide
CID 107990343
3-fluoro-4-methyl-N-[(4-methylpiperidin-3-yl)methyl]benzamide
CID 114955798
3-(diethylsulfamoyl)-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119537403
4-N,4-N-dimethyl-1-N-(2-pyrrolidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119537522
2-(azetidin-3-yl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 107129770

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide?
The IUPAC name of 3-fluoro-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide (CID 63622867) is 3-fluoro-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide.
What is the SMILES notation for 3-fluoro-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide?
The canonical SMILES for 3-fluoro-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide is Cc1ccc(C(=O)NCCC2CCNC2)cc1F.
What is the InChIKey of 3-fluoro-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide?
The InChIKey is GHRNJWYYYUQPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-10-2-3-12(8-13(10)15)14(18)17-7-5-11-4-6-16-9-11/h2-3,8,11,16H,4-7,9H2,1H3,(H,17,18).
What are the key properties of 3-fluoro-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide?
3-fluoro-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide has a molecular weight of 250.32 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide is sourced from PubChem (CID 63622867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).