1-(4-fluoroanilino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide

C14H18FN3O — CID 82853591

IUPAC1-(4-fluoroanilino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide
SMILESNC(=O)C1(Nc2ccc(F)cc2)CCN2CCCC21
InChIInChI=1S/C14H18FN3O/c15-10-3-5-11(6-4-10)17-14(13(16)19)7-9-18-8-1-2-12(14)18/h3-6,12,17H,1-2,7-9H2,(H2,16,19)
InChIKeyYTOSGRNVZMZPPP-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.33
Rot. Bonds3

About 1-(4-fluoroanilino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide

1-(4-fluoroanilino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide (PubChem CID 82853591) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 1-(4-fluoroanilino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide.

Molecular Properties

Compound Name1-(4-fluoroanilino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide
PubChem CID82853591
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name1-(4-fluoroanilino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide
SMILESNC(=O)C1(Nc2ccc(F)cc2)CCN2CCCC21
InChIInChI=1S/C14H18FN3O/c15-10-3-5-11(6-4-10)17-14(13(16)19)7-9-18-8-1-2-12(14)18/h3-6,12,17H,1-2,7-9H2,(H2,16,19)
InChIKeyYTOSGRNVZMZPPP-UHFFFAOYSA-N
XLogP1.33
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoroanilino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide?
The IUPAC name of 1-(4-fluoroanilino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide (CID 82853591) is 1-(4-fluoroanilino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide.
What is the SMILES notation for 1-(4-fluoroanilino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide?
The canonical SMILES for 1-(4-fluoroanilino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide is NC(=O)C1(Nc2ccc(F)cc2)CCN2CCCC21.
What is the InChIKey of 1-(4-fluoroanilino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide?
The InChIKey is YTOSGRNVZMZPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c15-10-3-5-11(6-4-10)17-14(13(16)19)7-9-18-8-1-2-12(14)18/h3-6,12,17H,1-2,7-9H2,(H2,16,19).
What are the key properties of 1-(4-fluoroanilino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide?
1-(4-fluoroanilino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide has a molecular weight of 263.32 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoroanilino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide is sourced from PubChem (CID 82853591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).