N-[2-(6-fluoro-1H-indol-3-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride

C15H19ClFN3O — CID 119706148

IUPACN-[2-(6-fluoro-1H-indol-3-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCc1c[nH]c2cc(F)ccc12)C1CCNC1
InChIInChI=1S/C15H18FN3O.ClH/c16-12-1-2-13-10(9-19-14(13)7-12)4-6-18-15(20)11-3-5-17-8-11;/h1-2,7,9,11,17,19H,3-6,8H2,(H,18,20);1H
InChIKeyYXHOMZVYHJTACW-UHFFFAOYSA-N
MW311.79 g/mol
LogP2.00
Rot. Bonds4

About N-[2-(6-fluoro-1H-indol-3-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride

N-[2-(6-fluoro-1H-indol-3-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119706148) has the molecular formula C15H19ClFN3O and a molecular weight of 311.79 g/mol. Its IUPAC name is N-[2-(6-fluoro-1H-indol-3-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(6-fluoro-1H-indol-3-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119706148
Molecular FormulaC15H19ClFN3O
Molecular Weight311.79 g/mol
Exact Mass311.12
IUPAC NameN-[2-(6-fluoro-1H-indol-3-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCc1c[nH]c2cc(F)ccc12)C1CCNC1
InChIInChI=1S/C15H18FN3O.ClH/c16-12-1-2-13-10(9-19-14(13)7-12)4-6-18-15(20)11-3-5-17-8-11;/h1-2,7,9,11,17,19H,3-6,8H2,(H,18,20);1H
InChIKeyYXHOMZVYHJTACW-UHFFFAOYSA-N
XLogP2.00
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,5-difluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 115159581
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]cyclohexanecarboxamide
CID 113083574
1-ethyl-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 49408553
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 49408649
(3R)-N-[2-(4-fluoro-2-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81134243
(1R,2S,5R)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 59992203
N-[2-(6-chloro-1H-indol-3-yl)ethyl]cyclobutanecarboxamide
CID 113083858
(6-fluoro-1H-indol-3-yl)-pyrrolidin-3-ylmethanone
CID 84695539
2-(6-fluoro-1H-indol-3-yl)-N-piperidin-4-ylacetamide
CID 138004293
1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
CID 86880994
(2R)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propanamide
CID 119280010
2,6-difluoro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]benzamide
CID 49408660

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-fluoro-1H-indol-3-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(6-fluoro-1H-indol-3-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride (CID 119706148) is N-[2-(6-fluoro-1H-indol-3-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(6-fluoro-1H-indol-3-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(6-fluoro-1H-indol-3-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride is Cl.O=C(NCCc1c[nH]c2cc(F)ccc12)C1CCNC1.
What is the InChIKey of N-[2-(6-fluoro-1H-indol-3-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is YXHOMZVYHJTACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O.ClH/c16-12-1-2-13-10(9-19-14(13)7-12)4-6-18-15(20)11-3-5-17-8-11;/h1-2,7,9,11,17,19H,3-6,8H2,(H,18,20);1H.
What are the key properties of N-[2-(6-fluoro-1H-indol-3-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride?
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 311.79 g/mol, XLogP of 2.00, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-fluoro-1H-indol-3-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119706148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).