(3R)-1-[2-(6-chloroindol-1-yl)acetyl]pyrrolidine-3-carboxamide

C15H16ClN3O2 — CID 94467337

IUPAC(3R)-1-[2-(6-chloroindol-1-yl)acetyl]pyrrolidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCN(C(=O)Cn2ccc3ccc(Cl)cc32)C1
InChIInChI=1S/C15H16ClN3O2/c16-12-2-1-10-3-5-18(13(10)7-12)9-14(20)19-6-4-11(8-19)15(17)21/h1-3,5,7,11H,4,6,8-9H2,(H2,17,21)/t11-/m1/s1
InChIKeyLMYJGJCSUZDGMM-LLVKDONJSA-N
MW305.76 g/mol
LogP1.63
Rot. Bonds3

About (3R)-1-[2-(6-chloroindol-1-yl)acetyl]pyrrolidine-3-carboxamide

(3R)-1-[2-(6-chloroindol-1-yl)acetyl]pyrrolidine-3-carboxamide (PubChem CID 94467337) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.76 g/mol. Its IUPAC name is (3R)-1-[2-(6-chloroindol-1-yl)acetyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-(6-chloroindol-1-yl)acetyl]pyrrolidine-3-carboxamide
PubChem CID94467337
Molecular FormulaC15H16ClN3O2
Molecular Weight305.76 g/mol
Exact Mass305.09
IUPAC Name(3R)-1-[2-(6-chloroindol-1-yl)acetyl]pyrrolidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCN(C(=O)Cn2ccc3ccc(Cl)cc32)C1
InChIInChI=1S/C15H16ClN3O2/c16-12-2-1-10-3-5-18(13(10)7-12)9-14(20)19-6-4-11(8-19)15(17)21/h1-3,5,7,11H,4,6,8-9H2,(H2,17,21)/t11-/m1/s1
InChIKeyLMYJGJCSUZDGMM-LLVKDONJSA-N
XLogP1.63
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(6-chloroindol-1-yl)acetyl]-N-cyclopropylpiperidine-4-carboxamide
CID 71887294
2-(6-chloroindol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 39036168
(3S)-1-[2-(6-chloroindol-1-yl)acetyl]-3-hydroxypiperidine-3-carboxamide
CID 129485947
2-(6-chloroindol-1-yl)-1-cyclopentylethanone
CID 104751262
(2S,4S)-1-[2-(6-chloroindol-1-yl)acetyl]-4-methoxypyrrolidine-2-carboxamide
CID 128983869
(3R)-1-[2-(6-bromoindol-1-yl)acetyl]piperidine-3-carboxylic acid
CID 51972569
2-(6-chloroindol-1-yl)-N-cyclohexylacetamide
CID 115590568
ethyl 1-[2-(6-fluoroindol-1-yl)acetyl]piperidine-4-carboxylate
CID 29139436
1-(azepan-1-yl)-2-(6-bromoindol-1-yl)ethanone
CID 116622080
2-(6-chloroindol-1-yl)-N-cyclopentylacetamide
CID 39339466
(3R)-1-[2-(7-chloro-4-oxoquinazolin-3-yl)acetyl]piperidine-3-carboxamide
CID 39011474
(3S)-4-[2-(6-chloroindol-1-yl)acetyl]morpholine-3-carboxylic acid
CID 125119285

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(6-chloroindol-1-yl)acetyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-(6-chloroindol-1-yl)acetyl]pyrrolidine-3-carboxamide (CID 94467337) is (3R)-1-[2-(6-chloroindol-1-yl)acetyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-(6-chloroindol-1-yl)acetyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-(6-chloroindol-1-yl)acetyl]pyrrolidine-3-carboxamide is NC(=O)[C@@H]1CCN(C(=O)Cn2ccc3ccc(Cl)cc32)C1.
What is the InChIKey of (3R)-1-[2-(6-chloroindol-1-yl)acetyl]pyrrolidine-3-carboxamide?
The InChIKey is LMYJGJCSUZDGMM-LLVKDONJSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c16-12-2-1-10-3-5-18(13(10)7-12)9-14(20)19-6-4-11(8-19)15(17)21/h1-3,5,7,11H,4,6,8-9H2,(H2,17,21)/t11-/m1/s1.
What are the key properties of (3R)-1-[2-(6-chloroindol-1-yl)acetyl]pyrrolidine-3-carboxamide?
(3R)-1-[2-(6-chloroindol-1-yl)acetyl]pyrrolidine-3-carboxamide has a molecular weight of 305.76 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(6-chloroindol-1-yl)acetyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 94467337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).