N-[2-(5-fluoro-4-methoxy-1-methylindol-3-yl)ethyl]pyrrolidine-2-carboxamide

C17H22FN3O2 — CID 66927107

IUPACN-[2-(5-fluoro-4-methoxy-1-methylindol-3-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCOc1c(F)ccc2c1c(CCNC(=O)C1CCCN1)cn2C
InChIInChI=1S/C17H22FN3O2/c1-21-10-11(7-9-20-17(22)13-4-3-8-19-13)15-14(21)6-5-12(18)16(15)23-2/h5-6,10,13,19H,3-4,7-9H2,1-2H3,(H,20,22)
InChIKeyXFSHKXRSFXEUAY-UHFFFAOYSA-N
MW319.38 g/mol
LogP1.74
Rot. Bonds5

About N-[2-(5-fluoro-4-methoxy-1-methylindol-3-yl)ethyl]pyrrolidine-2-carboxamide

N-[2-(5-fluoro-4-methoxy-1-methylindol-3-yl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 66927107) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is N-[2-(5-fluoro-4-methoxy-1-methylindol-3-yl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-4-methoxy-1-methylindol-3-yl)ethyl]pyrrolidine-2-carboxamide
PubChem CID66927107
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC NameN-[2-(5-fluoro-4-methoxy-1-methylindol-3-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCOc1c(F)ccc2c1c(CCNC(=O)C1CCCN1)cn2C
InChIInChI=1S/C17H22FN3O2/c1-21-10-11(7-9-20-17(22)13-4-3-8-19-13)15-14(21)6-5-12(18)16(15)23-2/h5-6,10,13,19H,3-4,7-9H2,1-2H3,(H,20,22)
InChIKeyXFSHKXRSFXEUAY-UHFFFAOYSA-N
XLogP1.74
TPSA55.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,3,4-trifluorophenyl)ethyl]pyrrolidine-2-carboxamide
CID 110481257
N-[2-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide
CID 11708711
N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119262908
N-[2-(2,4-dimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119302405
(2S)-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119263955
N-[2-(4-chlorophenyl)ethyl]piperidine-2-carboxamide
CID 11521840
N-[(3,4-dimethoxyphenyl)methyl]-2-(5-fluoro-4-methoxy-1-methylindol-3-yl)ethanamine
CID 58303903
N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119263802
N-[2-(3,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 83632123
N-(2-naphthalen-1-ylethyl)piperidine-2-carboxamide;hydrochloride
CID 119288851
N-[2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide
CID 120838741
(2R)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119883529

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-4-methoxy-1-methylindol-3-yl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(5-fluoro-4-methoxy-1-methylindol-3-yl)ethyl]pyrrolidine-2-carboxamide (CID 66927107) is N-[2-(5-fluoro-4-methoxy-1-methylindol-3-yl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(5-fluoro-4-methoxy-1-methylindol-3-yl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(5-fluoro-4-methoxy-1-methylindol-3-yl)ethyl]pyrrolidine-2-carboxamide is COc1c(F)ccc2c1c(CCNC(=O)C1CCCN1)cn2C.
What is the InChIKey of N-[2-(5-fluoro-4-methoxy-1-methylindol-3-yl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is XFSHKXRSFXEUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c1-21-10-11(7-9-20-17(22)13-4-3-8-19-13)15-14(21)6-5-12(18)16(15)23-2/h5-6,10,13,19H,3-4,7-9H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(5-fluoro-4-methoxy-1-methylindol-3-yl)ethyl]pyrrolidine-2-carboxamide?
N-[2-(5-fluoro-4-methoxy-1-methylindol-3-yl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 319.38 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-4-methoxy-1-methylindol-3-yl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 66927107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).