(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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Related Compounds

[1-(5-chloro-7-fluoro-1H-indole-2-carbonyl)pyrrolidin-3-yl]carbamic acid
CID 139371705
[(3S)-3-aminopyrrolidin-1-yl]-[5-chloro-7-(cyclopentylamino)-1H-indol-2-yl]methanone
CID 121433323
[(3R)-3-aminopyrrolidin-1-yl]-(5,6-dichloro-1H-indol-2-yl)methanone
CID 139371774
[(3S)-3-aminopyrrolidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119934207
(3-aminopyrrolidin-1-yl)-(4-chloro-1H-pyrrol-2-yl)methanone
CID 62068437
(3-aminopyrrolidin-1-yl)-(1H-indol-2-yl)methanone
CID 62069186
(5-chloro-7-methyl-1H-indol-2-yl)-[(3R)-3-(methylamino)pyrrolidin-1-yl]methanone
CID 70684084
(3-aminopyrrolidin-1-yl)-(4-chlorophenyl)methanone
CID 59657899
(5-chloro-6,7-difluoro-1H-indol-2-yl)-[(3S,4S)-3,4-diaminopyrrolidin-1-yl]methanone
CID 139371670
[(3S)-3-aminopyrrolidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone
CID 94339999
[(3R)-3-aminopyrrolidin-1-yl]-(3,4-difluorophenyl)methanone;hydrochloride
CID 119412532
(3-aminopyrrolidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone
CID 103840749

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).