4-fluoro-N-methyl-3-(methylsulfanylmethyl)-N-pyrrolidin-3-ylbenzamide

C14H19FN2OS — CID 122147805

IUPAC4-fluoro-N-methyl-3-(methylsulfanylmethyl)-N-pyrrolidin-3-ylbenzamide
SMILESCSCc1cc(C(=O)N(C)C2CCNC2)ccc1F
InChIInChI=1S/C14H19FN2OS/c1-17(12-5-6-16-8-12)14(18)10-3-4-13(15)11(7-10)9-19-2/h3-4,7,12,16H,5-6,8-9H2,1-2H3
InChIKeyVJVWCSALOPAVSP-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.12
Rot. Bonds4

About 4-fluoro-N-methyl-3-(methylsulfanylmethyl)-N-pyrrolidin-3-ylbenzamide

4-fluoro-N-methyl-3-(methylsulfanylmethyl)-N-pyrrolidin-3-ylbenzamide (PubChem CID 122147805) has the molecular formula C14H19FN2OS and a molecular weight of 282.38 g/mol. Its IUPAC name is 4-fluoro-N-methyl-3-(methylsulfanylmethyl)-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-3-(methylsulfanylmethyl)-N-pyrrolidin-3-ylbenzamide
PubChem CID122147805
Molecular FormulaC14H19FN2OS
Molecular Weight282.38 g/mol
Exact Mass282.12
IUPAC Name4-fluoro-N-methyl-3-(methylsulfanylmethyl)-N-pyrrolidin-3-ylbenzamide
SMILESCSCc1cc(C(=O)N(C)C2CCNC2)ccc1F
InChIInChI=1S/C14H19FN2OS/c1-17(12-5-6-16-8-12)14(18)10-3-4-13(15)11(7-10)9-19-2/h3-4,7,12,16H,5-6,8-9H2,1-2H3
InChIKeyVJVWCSALOPAVSP-UHFFFAOYSA-N
XLogP2.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-N-methyl-3-(methylsulfanylmethyl)-N-pyrrolidin-3-ylbenzamide 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

4-fluoro-3-(methoxymethyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 125146023
3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60805996
N,3,4-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554368
4-(difluoromethylsulfanyl)-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119552534
N-methyl-4-methylsulfanyl-3-nitro-N-pyrrolidin-3-ylbenzamide
CID 119553155
3-fluoro-N,4-dimethyl-N-piperidin-3-ylbenzamide
CID 60807217
3-chloro-4-iodo-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 103806752
3,5-dichloro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 63298248
2,3,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 79749564
3-fluoro-N-methyl-4-morpholin-4-yl-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 125147298
2,6-difluoro-N,3-dimethyl-N-pyrrolidin-3-ylbenzamide
CID 82815007
4-(4-ethylphenyl)-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 21034256

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-3-(methylsulfanylmethyl)-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of 4-fluoro-N-methyl-3-(methylsulfanylmethyl)-N-pyrrolidin-3-ylbenzamide (CID 122147805) is 4-fluoro-N-methyl-3-(methylsulfanylmethyl)-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 4-fluoro-N-methyl-3-(methylsulfanylmethyl)-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 4-fluoro-N-methyl-3-(methylsulfanylmethyl)-N-pyrrolidin-3-ylbenzamide is CSCc1cc(C(=O)N(C)C2CCNC2)ccc1F.
What is the InChIKey of 4-fluoro-N-methyl-3-(methylsulfanylmethyl)-N-pyrrolidin-3-ylbenzamide?
The InChIKey is VJVWCSALOPAVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2OS/c1-17(12-5-6-16-8-12)14(18)10-3-4-13(15)11(7-10)9-19-2/h3-4,7,12,16H,5-6,8-9H2,1-2H3.
What are the key properties of 4-fluoro-N-methyl-3-(methylsulfanylmethyl)-N-pyrrolidin-3-ylbenzamide?
4-fluoro-N-methyl-3-(methylsulfanylmethyl)-N-pyrrolidin-3-ylbenzamide has a molecular weight of 282.38 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-3-(methylsulfanylmethyl)-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 122147805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).