5,7-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-1H-indole-2-carboxamide;hydrochloride

C17H22Cl3N3O2 — CID 3019360

IUPAC5,7-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-1H-indole-2-carboxamide;hydrochloride
SMILESCCN1CCCC1CNC(=O)c1[nH]c2c(Cl)cc(Cl)cc2c1OC.Cl
InChIInChI=1S/C17H21Cl2N3O2.ClH/c1-3-22-6-4-5-11(22)9-20-17(23)15-16(24-2)12-7-10(18)8-13(19)14(12)21-15;/h7-8,11,21H,3-6,9H2,1-2H3,(H,20,23);1H
InChIKeyZCGQJAQQZKYBSW-UHFFFAOYSA-N
MW406.74 g/mol
LogP4.12
Rot. Bonds5

About 5,7-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-1H-indole-2-carboxamide;hydrochloride

5,7-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-1H-indole-2-carboxamide;hydrochloride (PubChem CID 3019360) has the molecular formula C17H22Cl3N3O2 and a molecular weight of 406.74 g/mol. Its IUPAC name is 5,7-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-1H-indole-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5,7-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-1H-indole-2-carboxamide;hydrochloride
PubChem CID3019360
Molecular FormulaC17H22Cl3N3O2
Molecular Weight406.74 g/mol
Exact Mass405.08
IUPAC Name5,7-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-1H-indole-2-carboxamide;hydrochloride
SMILESCCN1CCCC1CNC(=O)c1[nH]c2c(Cl)cc(Cl)cc2c1OC.Cl
InChIInChI=1S/C17H21Cl2N3O2.ClH/c1-3-22-6-4-5-11(22)9-20-17(23)15-16(24-2)12-7-10(18)8-13(19)14(12)21-15;/h7-8,11,21H,3-6,9H2,1-2H3,(H,20,23);1H
InChIKeyZCGQJAQQZKYBSW-UHFFFAOYSA-N
XLogP4.12
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.74
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide
CID 15167696
3,4-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-hydroxy-2-methoxybenzamide
CID 142641654
5-chloro-3-ethyl-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-6-methoxybenzamide
CID 6093347
N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine;dihydrochloride
CID 17213687
5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluorobenzamide
CID 47136529
2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(4-methylphenyl)-1H-pyrrole-3-carboxamide
CID 11791829
3,5-dibromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-6-methoxybenzamide;hydrochloride
CID 88691958
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-hydroxy-2-methoxybenzamide
CID 52947113
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-methoxy-2H-benzotriazole-5-carboxamide
CID 92973518
3,5-dichloro-N-[[1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide
CID 11440307
5-bromo-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide;hydrobromide
CID 46781582
2-amino-3-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-5,6-dimethoxybenzamide
CID 14076876

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-1H-indole-2-carboxamide;hydrochloride?
The IUPAC name of 5,7-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-1H-indole-2-carboxamide;hydrochloride (CID 3019360) is 5,7-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-1H-indole-2-carboxamide;hydrochloride.
What is the SMILES notation for 5,7-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-1H-indole-2-carboxamide;hydrochloride?
The canonical SMILES for 5,7-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-1H-indole-2-carboxamide;hydrochloride is CCN1CCCC1CNC(=O)c1[nH]c2c(Cl)cc(Cl)cc2c1OC.Cl.
What is the InChIKey of 5,7-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-1H-indole-2-carboxamide;hydrochloride?
The InChIKey is ZCGQJAQQZKYBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2N3O2.ClH/c1-3-22-6-4-5-11(22)9-20-17(23)15-16(24-2)12-7-10(18)8-13(19)14(12)21-15;/h7-8,11,21H,3-6,9H2,1-2H3,(H,20,23);1H.
What are the key properties of 5,7-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-1H-indole-2-carboxamide;hydrochloride?
5,7-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-1H-indole-2-carboxamide;hydrochloride has a molecular weight of 406.74 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-1H-indole-2-carboxamide;hydrochloride is sourced from PubChem (CID 3019360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).