2-fluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)benzamide

C15H20FN3O — CID 138613100

IUPAC2-fluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)benzamide
SMILESNC(=O)c1ccc(N2CCC(N3CCCC3)C2)cc1F
InChIInChI=1S/C15H20FN3O/c16-14-9-11(3-4-13(14)15(17)20)19-8-5-12(10-19)18-6-1-2-7-18/h3-4,9,12H,1-2,5-8,10H2,(H2,17,20)
InChIKeyPMGMVTGTMGVYFE-UHFFFAOYSA-N
MW277.34 g/mol
LogP1.60
Rot. Bonds3

About 2-fluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)benzamide

2-fluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)benzamide (PubChem CID 138613100) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 2-fluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)benzamide
PubChem CID138613100
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name2-fluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)benzamide
SMILESNC(=O)c1ccc(N2CCC(N3CCCC3)C2)cc1F
InChIInChI=1S/C15H20FN3O/c16-14-9-11(3-4-13(14)15(17)20)19-8-5-12(10-19)18-6-1-2-7-18/h3-4,9,12H,1-2,5-8,10H2,(H2,17,20)
InChIKeyPMGMVTGTMGVYFE-UHFFFAOYSA-N
XLogP1.60
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-(3-piperidin-1-ylpyrrolidin-1-yl)benzenecarbothioamide
CID 107277789
1-[2-amino-4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]ethanone
CID 104529017
1-(4-carbamothioyl-3-fluorophenyl)-N-methylpiperidine-3-carboxamide
CID 103195931
5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine-2-carbothioamide
CID 115488588
1-[2-amino-4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)phenyl]ethanone
CID 104528817
3-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
CID 63168101
4-(4-ethenylpiperazin-1-yl)-2-fluorobenzamide
CID 178055839
4-amino-3-(3-piperidin-1-ylpyrrolidin-1-yl)benzamide
CID 63356577
5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)benzoic acid
CID 63170206
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-bromobenzoic acid
CID 107282051
2-(4-fluoro-3-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929197
2-amino-5-(3-morpholin-4-ylpyrrolidin-1-yl)benzoic acid
CID 63174659

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)benzamide?
The IUPAC name of 2-fluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)benzamide (CID 138613100) is 2-fluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)benzamide.
What is the SMILES notation for 2-fluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)benzamide?
The canonical SMILES for 2-fluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)benzamide is NC(=O)c1ccc(N2CCC(N3CCCC3)C2)cc1F.
What is the InChIKey of 2-fluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)benzamide?
The InChIKey is PMGMVTGTMGVYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c16-14-9-11(3-4-13(14)15(17)20)19-8-5-12(10-19)18-6-1-2-7-18/h3-4,9,12H,1-2,5-8,10H2,(H2,17,20).
What are the key properties of 2-fluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)benzamide?
2-fluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)benzamide has a molecular weight of 277.34 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)benzamide is sourced from PubChem (CID 138613100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).