N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide;dihydrochloride

C20H25Cl2N3O — CID 119866803

IUPACN-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc(CN2CCc3ccccc32)cc1)C1CCCN1
InChIInChI=1S/C20H23N3O.2ClH/c24-20(18-5-3-12-21-18)22-17-9-7-15(8-10-17)14-23-13-11-16-4-1-2-6-19(16)23;;/h1-2,4,6-10,18,21H,3,5,11-14H2,(H,22,24);2*1H
InChIKeyBOWZPZZAEZEOHX-UHFFFAOYSA-N
MW394.35 g/mol
LogP3.78
Rot. Bonds4

About N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide;dihydrochloride

N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide;dihydrochloride (PubChem CID 119866803) has the molecular formula C20H25Cl2N3O and a molecular weight of 394.35 g/mol. Its IUPAC name is N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide;dihydrochloride
PubChem CID119866803
Molecular FormulaC20H25Cl2N3O
Molecular Weight394.35 g/mol
Exact Mass393.14
IUPAC NameN-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc(CN2CCc3ccccc32)cc1)C1CCCN1
InChIInChI=1S/C20H23N3O.2ClH/c24-20(18-5-3-12-21-18)22-17-9-7-15(8-10-17)14-23-13-11-16-4-1-2-6-19(16)23;;/h1-2,4,6-10,18,21H,3,5,11-14H2,(H,22,24);2*1H
InChIKeyBOWZPZZAEZEOHX-UHFFFAOYSA-N
XLogP3.78
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]morpholine-3-carboxamide;dihydrochloride
CID 119866777
N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119866796
N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119310553
(2R)-N-[3-(2,3-dihydroindol-1-yl)propyl]piperidine-2-carboxamide
CID 103813592
(2R)-N-[4-(aminomethyl)phenyl]pyrrolidine-2-carboxamide
CID 143190903
N-(4-acetamidophenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 46771578
4-(2,3-dihydroindol-1-ylmethyl)-N-(4-ethylphenyl)benzamide
CID 99953473
N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119311147
(2S)-N-phenylpiperidine-2-carboxamide;hydrochloride
CID 68574355
(2R)-N-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 7183288
3-[4-(pyrrolidine-2-carbonylamino)phenyl]propanoic acid
CID 115339993
(2R)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide
CID 103813532

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide;dihydrochloride?
The IUPAC name of N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide;dihydrochloride (CID 119866803) is N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide;dihydrochloride is Cl.Cl.O=C(Nc1ccc(CN2CCc3ccccc32)cc1)C1CCCN1.
What is the InChIKey of N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide;dihydrochloride?
The InChIKey is BOWZPZZAEZEOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O.2ClH/c24-20(18-5-3-12-21-18)22-17-9-7-15(8-10-17)14-23-13-11-16-4-1-2-6-19(16)23;;/h1-2,4,6-10,18,21H,3,5,11-14H2,(H,22,24);2*1H.
What are the key properties of N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide;dihydrochloride?
N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide;dihydrochloride has a molecular weight of 394.35 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119866803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).