1-(3,4-dichlorobenzoyl)-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride

C15H20Cl3N3O2 — CID 119503508

IUPAC1-(3,4-dichlorobenzoyl)-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCNCCNC(=O)C1CCCN1C(=O)c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C15H19Cl2N3O2.ClH/c1-18-6-7-19-14(21)13-3-2-8-20(13)15(22)10-4-5-11(16)12(17)9-10;/h4-5,9,13,18H,2-3,6-8H2,1H3,(H,19,21);1H
InChIKeyYEPGUVZHNYOWOW-UHFFFAOYSA-N
MW380.70 g/mol
LogP2.36
Rot. Bonds5

About 1-(3,4-dichlorobenzoyl)-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride

1-(3,4-dichlorobenzoyl)-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119503508) has the molecular formula C15H20Cl3N3O2 and a molecular weight of 380.70 g/mol. Its IUPAC name is 1-(3,4-dichlorobenzoyl)-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(3,4-dichlorobenzoyl)-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119503508
Molecular FormulaC15H20Cl3N3O2
Molecular Weight380.70 g/mol
Exact Mass379.06
IUPAC Name1-(3,4-dichlorobenzoyl)-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCNCCNC(=O)C1CCCN1C(=O)c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C15H19Cl2N3O2.ClH/c1-18-6-7-19-14(21)13-3-2-8-20(13)15(22)10-4-5-11(16)12(17)9-10;/h4-5,9,13,18H,2-3,6-8H2,1H3,(H,19,21);1H
InChIKeyYEPGUVZHNYOWOW-UHFFFAOYSA-N
XLogP2.36
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.70
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[1-(3,4-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]propanoic acid
CID 119351543
(2S)-N-(2-benzamidoethyl)-1-(3,4-dichlorobenzoyl)pyrrolidine-2-carboxamide
CID 51066683
1-benzoyl-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide
CID 119503511
1-acetyl-N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide
CID 78868255
1-(3,4-dichlorobenzoyl)-N-(2-piperazin-1-ylethyl)pyrrolidine-2-carboxamide
CID 119448407
1-(3,5-dichlorobenzoyl)-N-[3-(methylamino)propyl]pyrrolidine-2-carboxamide
CID 119429601
(2S)-1-(3,4-dichlorobenzoyl)pyrrolidine-2-carboxylic acid
CID 822734
1-(3,4-dichlorobenzoyl)-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide
CID 119453399
1-(3,4-dichlorobenzoyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2-carboxamide
CID 167790919
1-(3-chloro-4-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 63194302
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-(3,4-dichlorobenzoyl)pyrrolidine-2-carboxamide
CID 112833762
(2S)-1-(3,4-dichlorobenzoyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 51938354

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorobenzoyl)-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of 1-(3,4-dichlorobenzoyl)-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119503508) is 1-(3,4-dichlorobenzoyl)-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 1-(3,4-dichlorobenzoyl)-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for 1-(3,4-dichlorobenzoyl)-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride is CNCCNC(=O)C1CCCN1C(=O)c1ccc(Cl)c(Cl)c1.Cl.
What is the InChIKey of 1-(3,4-dichlorobenzoyl)-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is YEPGUVZHNYOWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3O2.ClH/c1-18-6-7-19-14(21)13-3-2-8-20(13)15(22)10-4-5-11(16)12(17)9-10;/h4-5,9,13,18H,2-3,6-8H2,1H3,(H,19,21);1H.
What are the key properties of 1-(3,4-dichlorobenzoyl)-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
1-(3,4-dichlorobenzoyl)-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 380.70 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorobenzoyl)-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119503508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).