N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride

C20H22ClN3O2 — CID 119310553

IUPACN-[4-(2,3-dihydroindole-1-carbonyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(C(=O)N2CCc3ccccc32)cc1)C1CCCN1
InChIInChI=1S/C20H21N3O2.ClH/c24-19(17-5-3-12-21-17)22-16-9-7-15(8-10-16)20(25)23-13-11-14-4-1-2-6-18(14)23;/h1-2,4,6-10,17,21H,3,5,11-13H2,(H,22,24);1H
InChIKeyKZZKJZOSDZFYLZ-UHFFFAOYSA-N
MW371.87 g/mol
LogP3.00
Rot. Bonds3

About N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride

N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119310553) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(2,3-dihydroindole-1-carbonyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119310553
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC NameN-[4-(2,3-dihydroindole-1-carbonyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(C(=O)N2CCc3ccccc32)cc1)C1CCCN1
InChIInChI=1S/C20H21N3O2.ClH/c24-19(17-5-3-12-21-17)22-16-9-7-15(8-10-16)20(25)23-13-11-14-4-1-2-6-18(14)23;/h1-2,4,6-10,17,21H,3,5,11-13H2,(H,22,24);1H
InChIKeyKZZKJZOSDZFYLZ-UHFFFAOYSA-N
XLogP3.00
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119761289
N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119866803
4-(2,3-dihydroindole-1-carbonyl)-N-(4-fluorophenyl)benzamide
CID 109049539
trans-(1S,2S)-2-[[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]carbamoyl]cyclohexane-1-carboxylate
CID 7366932
N-[4-(2-methylpiperidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119283670
N-(4-acetamidophenyl)-4-(2,3-dihydroindole-1-carbonyl)benzamide
CID 109049557
N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119761222
(1S,6R)-6-[[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 7372088
(1S,6R)-6-[[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate
CID 7372087
ethyl N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]carbamate
CID 17463850
1-(2,3-dihydroindol-1-yl)-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone
CID 119857339
N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]furan-2-carboxamide
CID 34818899

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119310553) is N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(C(=O)N2CCc3ccccc32)cc1)C1CCCN1.
What is the InChIKey of N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is KZZKJZOSDZFYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2.ClH/c24-19(17-5-3-12-21-17)22-16-9-7-15(8-10-16)20(25)23-13-11-14-4-1-2-6-18(14)23;/h1-2,4,6-10,17,21H,3,5,11-13H2,(H,22,24);1H.
What are the key properties of N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 371.87 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119310553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).