1-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide

C19H17Cl4N3O2 — CID 46406069

IUPAC1-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide
SMILESO=C(CN1CCCC1C(=O)Nc1cc(Cl)cc(Cl)c1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C19H17Cl4N3O2/c20-11-7-12(21)9-13(8-11)24-19(28)16-5-2-6-26(16)10-17(27)25-18-14(22)3-1-4-15(18)23/h1,3-4,7-9,16H,2,5-6,10H2,(H,24,28)(H,25,27)
InChIKeyZDTKULLMMJZUMN-UHFFFAOYSA-N
MW461.18 g/mol
LogP5.34
Rot. Bonds5

About 1-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide

1-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide (PubChem CID 46406069) has the molecular formula C19H17Cl4N3O2 and a molecular weight of 461.18 g/mol. Its IUPAC name is 1-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide
PubChem CID46406069
Molecular FormulaC19H17Cl4N3O2
Molecular Weight461.18 g/mol
Exact Mass459.01
IUPAC Name1-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide
SMILESO=C(CN1CCCC1C(=O)Nc1cc(Cl)cc(Cl)c1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C19H17Cl4N3O2/c20-11-7-12(21)9-13(8-11)24-19(28)16-5-2-6-26(16)10-17(27)25-18-14(22)3-1-4-15(18)23/h1,3-4,7-9,16H,2,5-6,10H2,(H,24,28)(H,25,27)
InChIKeyZDTKULLMMJZUMN-UHFFFAOYSA-N
XLogP5.34
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.18
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dichlorophenyl)-1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 55627894
1-[2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide
CID 46406070
N-(3,5-dichlorophenyl)-1-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]pyrrolidine-2-carboxamide
CID 46406174
N-(3,5-dichlorophenyl)-1-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]pyrrolidine-2-carboxamide
CID 46406252
N-(3,5-dichlorophenyl)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrolidine-2-carboxamide
CID 55628088
3-[[2-[(3,5-dichlorophenyl)carbamoyl]pyrrolidin-1-yl]methyl]benzoic acid
CID 122028709
N-(2,6-dichlorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2697996
N-(3,4-dichlorophenyl)-1-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]piperidine-2-carboxamide
CID 43063775
(2S)-1-[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910617
N-(3,5-dichlorophenyl)-1-(piperidin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 119930519
N-(3,5-dichlorophenyl)-1-(3-oxo-3-piperazin-1-ylpropyl)pyrrolidine-2-carboxamide
CID 120981014
N-(2,5-dichlorophenyl)-1-[2-oxo-2-(pentan-3-ylamino)ethyl]pyrrolidine-2-carboxamide
CID 46406120

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide (CID 46406069) is 1-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide is O=C(CN1CCCC1C(=O)Nc1cc(Cl)cc(Cl)c1)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 1-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide?
The InChIKey is ZDTKULLMMJZUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl4N3O2/c20-11-7-12(21)9-13(8-11)24-19(28)16-5-2-6-26(16)10-17(27)25-18-14(22)3-1-4-15(18)23/h1,3-4,7-9,16H,2,5-6,10H2,(H,24,28)(H,25,27).
What are the key properties of 1-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide?
1-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide has a molecular weight of 461.18 g/mol, XLogP of 5.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 46406069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).