(3-aminopyrrolidin-1-yl)-(5-chloro-7-fluoro-1H-indol-2-yl)methanone

C13H13ClFN3O — CID 139371790

IUPAC(3-aminopyrrolidin-1-yl)-(5-chloro-7-fluoro-1H-indol-2-yl)methanone
SMILESNC1CCN(C(=O)c2cc3cc(Cl)cc(F)c3[nH]2)C1
InChIInChI=1S/C13H13ClFN3O/c14-8-3-7-4-11(17-12(7)10(15)5-8)13(19)18-2-1-9(16)6-18/h3-5,9,17H,1-2,6,16H2
InChIKeyTZSRBHUAHKELGO-UHFFFAOYSA-N
MW281.72 g/mol
LogP2.13
Rot. Bonds1

About (3-aminopyrrolidin-1-yl)-(5-chloro-7-fluoro-1H-indol-2-yl)methanone

(3-aminopyrrolidin-1-yl)-(5-chloro-7-fluoro-1H-indol-2-yl)methanone (PubChem CID 139371790) has the molecular formula C13H13ClFN3O and a molecular weight of 281.72 g/mol. Its IUPAC name is (3-aminopyrrolidin-1-yl)-(5-chloro-7-fluoro-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name(3-aminopyrrolidin-1-yl)-(5-chloro-7-fluoro-1H-indol-2-yl)methanone
PubChem CID139371790
Molecular FormulaC13H13ClFN3O
Molecular Weight281.72 g/mol
Exact Mass281.07
IUPAC Name(3-aminopyrrolidin-1-yl)-(5-chloro-7-fluoro-1H-indol-2-yl)methanone
SMILESNC1CCN(C(=O)c2cc3cc(Cl)cc(F)c3[nH]2)C1
InChIInChI=1S/C13H13ClFN3O/c14-8-3-7-4-11(17-12(7)10(15)5-8)13(19)18-2-1-9(16)6-18/h3-5,9,17H,1-2,6,16H2
InChIKeyTZSRBHUAHKELGO-UHFFFAOYSA-N
XLogP2.13
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.72
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-aminopyrrolidin-1-yl)-(5-chloro-7-fluoro-1H-indol-2-yl)methanone?
The IUPAC name of (3-aminopyrrolidin-1-yl)-(5-chloro-7-fluoro-1H-indol-2-yl)methanone (CID 139371790) is (3-aminopyrrolidin-1-yl)-(5-chloro-7-fluoro-1H-indol-2-yl)methanone.
What is the SMILES notation for (3-aminopyrrolidin-1-yl)-(5-chloro-7-fluoro-1H-indol-2-yl)methanone?
The canonical SMILES for (3-aminopyrrolidin-1-yl)-(5-chloro-7-fluoro-1H-indol-2-yl)methanone is NC1CCN(C(=O)c2cc3cc(Cl)cc(F)c3[nH]2)C1.
What is the InChIKey of (3-aminopyrrolidin-1-yl)-(5-chloro-7-fluoro-1H-indol-2-yl)methanone?
The InChIKey is TZSRBHUAHKELGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3O/c14-8-3-7-4-11(17-12(7)10(15)5-8)13(19)18-2-1-9(16)6-18/h3-5,9,17H,1-2,6,16H2.
What are the key properties of (3-aminopyrrolidin-1-yl)-(5-chloro-7-fluoro-1H-indol-2-yl)methanone?
(3-aminopyrrolidin-1-yl)-(5-chloro-7-fluoro-1H-indol-2-yl)methanone has a molecular weight of 281.72 g/mol, XLogP of 2.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrrolidin-1-yl)-(5-chloro-7-fluoro-1H-indol-2-yl)methanone is sourced from PubChem (CID 139371790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).