3-(3-fluoroanilino)-N-methylpyrrolidine-3-carboxamide;hydrochloride

C12H17ClFN3O — CID 171697164

IUPAC3-(3-fluoroanilino)-N-methylpyrrolidine-3-carboxamide;hydrochloride
SMILESCNC(=O)C1(Nc2cccc(F)c2)CCNC1.Cl
InChIInChI=1S/C12H16FN3O.ClH/c1-14-11(17)12(5-6-15-8-12)16-10-4-2-3-9(13)7-10;/h2-4,7,15-16H,5-6,8H2,1H3,(H,14,17);1H
InChIKeyCBMVFEWRJJUZTH-UHFFFAOYSA-N
MW273.74 g/mol
LogP1.14
Rot. Bonds3

About 3-(3-fluoroanilino)-N-methylpyrrolidine-3-carboxamide;hydrochloride

3-(3-fluoroanilino)-N-methylpyrrolidine-3-carboxamide;hydrochloride (PubChem CID 171697164) has the molecular formula C12H17ClFN3O and a molecular weight of 273.74 g/mol. Its IUPAC name is 3-(3-fluoroanilino)-N-methylpyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-(3-fluoroanilino)-N-methylpyrrolidine-3-carboxamide;hydrochloride
PubChem CID171697164
Molecular FormulaC12H17ClFN3O
Molecular Weight273.74 g/mol
Exact Mass273.10
IUPAC Name3-(3-fluoroanilino)-N-methylpyrrolidine-3-carboxamide;hydrochloride
SMILESCNC(=O)C1(Nc2cccc(F)c2)CCNC1.Cl
InChIInChI=1S/C12H16FN3O.ClH/c1-14-11(17)12(5-6-15-8-12)16-10-4-2-3-9(13)7-10;/h2-4,7,15-16H,5-6,8H2,1H3,(H,14,17);1H
InChIKeyCBMVFEWRJJUZTH-UHFFFAOYSA-N
XLogP1.14
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.74
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropanecarbonyl)-4-(3-fluoroanilino)-N-methylpiperidine-4-carboxamide
CID 155872854
methyl 1-(3-fluoroanilino)cyclopentane-1-carboxylate
CID 54890364
1-(cyclopentylmethyl)-4-(3-fluoroanilino)-N-methylpiperidine-4-carboxamide
CID 155879288
4-(3-fluoroanilino)-N-methyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 155871260
[4-(3-fluoroanilino)piperidin-4-yl]methanol
CID 61243193
3-(3-fluoroanilino)-N-methyl-1-(2-thiophen-3-ylacetyl)pyrrolidine-3-carboxamide
CID 155873216
methyl 1-(3-fluoroanilino)cyclobutane-1-carboxylate
CID 62389643
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
4-(3-fluoroanilino)-N-methyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 155874149
4-(3-fluoroanilino)-N-methyl-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide
CID 155873313
3-(3-fluoroanilino)-N-methyl-1-propylsulfonylpyrrolidine-3-carboxamide
CID 155873897

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoroanilino)-N-methylpyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of 3-(3-fluoroanilino)-N-methylpyrrolidine-3-carboxamide;hydrochloride (CID 171697164) is 3-(3-fluoroanilino)-N-methylpyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 3-(3-fluoroanilino)-N-methylpyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for 3-(3-fluoroanilino)-N-methylpyrrolidine-3-carboxamide;hydrochloride is CNC(=O)C1(Nc2cccc(F)c2)CCNC1.Cl.
What is the InChIKey of 3-(3-fluoroanilino)-N-methylpyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is CBMVFEWRJJUZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O.ClH/c1-14-11(17)12(5-6-15-8-12)16-10-4-2-3-9(13)7-10;/h2-4,7,15-16H,5-6,8H2,1H3,(H,14,17);1H.
What are the key properties of 3-(3-fluoroanilino)-N-methylpyrrolidine-3-carboxamide;hydrochloride?
3-(3-fluoroanilino)-N-methylpyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 273.74 g/mol, XLogP of 1.14, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoroanilino)-N-methylpyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 171697164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).