3-(3-fluoroanilino)-N-methyl-1-(2-thiophen-3-ylacetyl)pyrrolidine-3-carboxamide

C18H20FN3O2S — CID 155873216

IUPAC3-(3-fluoroanilino)-N-methyl-1-(2-thiophen-3-ylacetyl)pyrrolidine-3-carboxamide
SMILESCNC(=O)C1(Nc2cccc(F)c2)CCN(C(=O)Cc2ccsc2)C1
InChIInChI=1S/C18H20FN3O2S/c1-20-17(24)18(21-15-4-2-3-14(19)10-15)6-7-22(12-18)16(23)9-13-5-8-25-11-13/h2-5,8,10-11,21H,6-7,9,12H2,1H3,(H,20,24)
InChIKeyXOVGGZFIRNVLMO-UHFFFAOYSA-N
MW361.44 g/mol
LogP2.26
Rot. Bonds5

About 3-(3-fluoroanilino)-N-methyl-1-(2-thiophen-3-ylacetyl)pyrrolidine-3-carboxamide

3-(3-fluoroanilino)-N-methyl-1-(2-thiophen-3-ylacetyl)pyrrolidine-3-carboxamide (PubChem CID 155873216) has the molecular formula C18H20FN3O2S and a molecular weight of 361.44 g/mol. Its IUPAC name is 3-(3-fluoroanilino)-N-methyl-1-(2-thiophen-3-ylacetyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-(3-fluoroanilino)-N-methyl-1-(2-thiophen-3-ylacetyl)pyrrolidine-3-carboxamide
PubChem CID155873216
Molecular FormulaC18H20FN3O2S
Molecular Weight361.44 g/mol
Exact Mass361.13
IUPAC Name3-(3-fluoroanilino)-N-methyl-1-(2-thiophen-3-ylacetyl)pyrrolidine-3-carboxamide
SMILESCNC(=O)C1(Nc2cccc(F)c2)CCN(C(=O)Cc2ccsc2)C1
InChIInChI=1S/C18H20FN3O2S/c1-20-17(24)18(21-15-4-2-3-14(19)10-15)6-7-22(12-18)16(23)9-13-5-8-25-11-13/h2-5,8,10-11,21H,6-7,9,12H2,1H3,(H,20,24)
InChIKeyXOVGGZFIRNVLMO-UHFFFAOYSA-N
XLogP2.26
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-fluoroanilino)-N-methyl-1-[(E)-3-thiophen-2-ylprop-2-enoyl]pyrrolidine-3-carboxamide
CID 155872984
4-(3-fluoroanilino)-N-methyl-1-(3-methylsulfonylpropanoyl)piperidine-4-carboxamide
CID 155871376
3-(3-fluoroanilino)-N-methyl-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 155875888
1-(cyclopropanecarbonyl)-4-(3-fluoroanilino)-N-methylpiperidine-4-carboxamide
CID 155872854
3-(3-fluoroanilino)-N-methyl-1-propylsulfonylpyrrolidine-3-carboxamide
CID 155873897
4-(3-fluoroanilino)-N-methyl-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide
CID 155873313
4-(3-fluoroanilino)-N-methyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 155871260
3-(3-fluoroanilino)-N-methylpyrrolidine-3-carboxamide;hydrochloride
CID 171697164
1-(cyclopentylmethyl)-4-(3-fluoroanilino)-N-methylpiperidine-4-carboxamide
CID 155879288
4-(3-fluoroanilino)-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 155871466
N-(3-fluorophenyl)-2-(2-thiophen-3-ylacetyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 131654795
1-[3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 110109005

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoroanilino)-N-methyl-1-(2-thiophen-3-ylacetyl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-(3-fluoroanilino)-N-methyl-1-(2-thiophen-3-ylacetyl)pyrrolidine-3-carboxamide (CID 155873216) is 3-(3-fluoroanilino)-N-methyl-1-(2-thiophen-3-ylacetyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-(3-fluoroanilino)-N-methyl-1-(2-thiophen-3-ylacetyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-(3-fluoroanilino)-N-methyl-1-(2-thiophen-3-ylacetyl)pyrrolidine-3-carboxamide is CNC(=O)C1(Nc2cccc(F)c2)CCN(C(=O)Cc2ccsc2)C1.
What is the InChIKey of 3-(3-fluoroanilino)-N-methyl-1-(2-thiophen-3-ylacetyl)pyrrolidine-3-carboxamide?
The InChIKey is XOVGGZFIRNVLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2S/c1-20-17(24)18(21-15-4-2-3-14(19)10-15)6-7-22(12-18)16(23)9-13-5-8-25-11-13/h2-5,8,10-11,21H,6-7,9,12H2,1H3,(H,20,24).
What are the key properties of 3-(3-fluoroanilino)-N-methyl-1-(2-thiophen-3-ylacetyl)pyrrolidine-3-carboxamide?
3-(3-fluoroanilino)-N-methyl-1-(2-thiophen-3-ylacetyl)pyrrolidine-3-carboxamide has a molecular weight of 361.44 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoroanilino)-N-methyl-1-(2-thiophen-3-ylacetyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 155873216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).