[1-(5-chloro-7-fluoro-1H-indole-2-carbonyl)pyrrolidin-3-yl]carbamic acid

C14H13ClFN3O3 — CID 139371705

IUPAC[1-(5-chloro-7-fluoro-1H-indole-2-carbonyl)pyrrolidin-3-yl]carbamic acid
SMILESO=C(O)NC1CCN(C(=O)c2cc3cc(Cl)cc(F)c3[nH]2)C1
InChIInChI=1S/C14H13ClFN3O3/c15-8-3-7-4-11(18-12(7)10(16)5-8)13(20)19-2-1-9(6-19)17-14(21)22/h3-5,9,17-18H,1-2,6H2,(H,21,22)
InChIKeyVARCDMSLDSYCIS-UHFFFAOYSA-N
MW325.73 g/mol
LogP2.44
Rot. Bonds2

About [1-(5-chloro-7-fluoro-1H-indole-2-carbonyl)pyrrolidin-3-yl]carbamic acid

[1-(5-chloro-7-fluoro-1H-indole-2-carbonyl)pyrrolidin-3-yl]carbamic acid (PubChem CID 139371705) has the molecular formula C14H13ClFN3O3 and a molecular weight of 325.73 g/mol. Its IUPAC name is [1-(5-chloro-7-fluoro-1H-indole-2-carbonyl)pyrrolidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[1-(5-chloro-7-fluoro-1H-indole-2-carbonyl)pyrrolidin-3-yl]carbamic acid
PubChem CID139371705
Molecular FormulaC14H13ClFN3O3
Molecular Weight325.73 g/mol
Exact Mass325.06
IUPAC Name[1-(5-chloro-7-fluoro-1H-indole-2-carbonyl)pyrrolidin-3-yl]carbamic acid
SMILESO=C(O)NC1CCN(C(=O)c2cc3cc(Cl)cc(F)c3[nH]2)C1
InChIInChI=1S/C14H13ClFN3O3/c15-8-3-7-4-11(18-12(7)10(16)5-8)13(20)19-2-1-9(6-19)17-14(21)22/h3-5,9,17-18H,1-2,6H2,(H,21,22)
InChIKeyVARCDMSLDSYCIS-UHFFFAOYSA-N
XLogP2.44
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.73
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(3-aminopyrrolidin-1-yl)-(5-chloro-7-fluoro-1H-indol-2-yl)methanone
CID 139371790
(5-chloro-7-methyl-1H-indol-2-yl)-[(3R)-3-(methylamino)pyrrolidin-1-yl]methanone
CID 70684084
(5-chloro-7-methyl-1H-indol-2-yl)-[3-(methylamino)azetidin-1-yl]methanone
CID 66573462
[(3S)-3-aminopyrrolidin-1-yl]-[5-chloro-7-(cyclopentylamino)-1H-indol-2-yl]methanone
CID 121433323
N-[1-(6-fluoro-1H-indole-2-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide
CID 166323550
(5-fluoro-1H-indol-2-yl)-[(3R)-3-(methylamino)pyrrolidin-1-yl]methanone
CID 24764568
(3R)-1-[5-chloro-7-(oxan-4-ylamino)-1H-indole-2-carbonyl]pyrrolidine-3-carboxylic acid;[5-chloro-7-(oxan-4-ylamino)-1H-indol-2-yl]-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 121452923
[1-(4-chlorobenzoyl)piperidin-4-yl]carbamic acid
CID 154188443
(5-chloro-6,7-difluoro-1H-indol-2-yl)-[(3S,4S)-3,4-diaminopyrrolidin-1-yl]methanone
CID 139371670
[5-chloro-7-(oxan-4-ylamino)-1H-indol-2-yl]-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 121433329
[4-[2-(4-bromophenyl)hydrazinyl]piperidin-1-yl]-(5-chloro-1H-indol-2-yl)methanone
CID 122435985
[(3S)-1-[4-chloro-3-(4-cyano-3-fluorophenyl)benzoyl]pyrrolidin-3-yl]carbamic acid
CID 135339524

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-7-fluoro-1H-indole-2-carbonyl)pyrrolidin-3-yl]carbamic acid?
The IUPAC name of [1-(5-chloro-7-fluoro-1H-indole-2-carbonyl)pyrrolidin-3-yl]carbamic acid (CID 139371705) is [1-(5-chloro-7-fluoro-1H-indole-2-carbonyl)pyrrolidin-3-yl]carbamic acid.
What is the SMILES notation for [1-(5-chloro-7-fluoro-1H-indole-2-carbonyl)pyrrolidin-3-yl]carbamic acid?
The canonical SMILES for [1-(5-chloro-7-fluoro-1H-indole-2-carbonyl)pyrrolidin-3-yl]carbamic acid is O=C(O)NC1CCN(C(=O)c2cc3cc(Cl)cc(F)c3[nH]2)C1.
What is the InChIKey of [1-(5-chloro-7-fluoro-1H-indole-2-carbonyl)pyrrolidin-3-yl]carbamic acid?
The InChIKey is VARCDMSLDSYCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3O3/c15-8-3-7-4-11(18-12(7)10(16)5-8)13(20)19-2-1-9(6-19)17-14(21)22/h3-5,9,17-18H,1-2,6H2,(H,21,22).
What are the key properties of [1-(5-chloro-7-fluoro-1H-indole-2-carbonyl)pyrrolidin-3-yl]carbamic acid?
[1-(5-chloro-7-fluoro-1H-indole-2-carbonyl)pyrrolidin-3-yl]carbamic acid has a molecular weight of 325.73 g/mol, XLogP of 2.44, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-7-fluoro-1H-indole-2-carbonyl)pyrrolidin-3-yl]carbamic acid is sourced from PubChem (CID 139371705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).