N-(3,5-dichlorophenyl)-1-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]pyrrolidine-2-carboxamide

C22H25Cl2N3O5 — CID 46406174

IUPACN-(3,5-dichlorophenyl)-1-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]pyrrolidine-2-carboxamide
SMILESCOc1cc(NC(=O)CN2CCCC2C(=O)Nc2cc(Cl)cc(Cl)c2)cc(OC)c1OC
InChIInChI=1S/C22H25Cl2N3O5/c1-30-18-10-16(11-19(31-2)21(18)32-3)25-20(28)12-27-6-4-5-17(27)22(29)26-15-8-13(23)7-14(24)9-15/h7-11,17H,4-6,12H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyXCQIANIYTQTPTJ-UHFFFAOYSA-N
MW482.36 g/mol
LogP4.06
Rot. Bonds8

About N-(3,5-dichlorophenyl)-1-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]pyrrolidine-2-carboxamide

N-(3,5-dichlorophenyl)-1-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]pyrrolidine-2-carboxamide (PubChem CID 46406174) has the molecular formula C22H25Cl2N3O5 and a molecular weight of 482.36 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-1-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-1-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]pyrrolidine-2-carboxamide
PubChem CID46406174
Molecular FormulaC22H25Cl2N3O5
Molecular Weight482.36 g/mol
Exact Mass481.12
IUPAC NameN-(3,5-dichlorophenyl)-1-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]pyrrolidine-2-carboxamide
SMILESCOc1cc(NC(=O)CN2CCCC2C(=O)Nc2cc(Cl)cc(Cl)c2)cc(OC)c1OC
InChIInChI=1S/C22H25Cl2N3O5/c1-30-18-10-16(11-19(31-2)21(18)32-3)25-20(28)12-27-6-4-5-17(27)22(29)26-15-8-13(23)7-14(24)9-15/h7-11,17H,4-6,12H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyXCQIANIYTQTPTJ-UHFFFAOYSA-N
XLogP4.06
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.36
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-1-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]pyrrolidine-2-carboxylic acid
CID 119910886
(2S)-1-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]piperidine-2-carboxamide
CID 40918330
2-[2-(4-chlorophenyl)pyrrolidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 42950760
2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 56542184
1-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide
CID 46406069
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
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-(3,4-dichlorophenyl)-1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]piperidine-2-carboxamide
CID 43063745
N-(3,5-dichlorophenyl)-1-(piperidin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 119930519
N-(3,4,5-trimethoxyphenyl)cyclopentanecarboxamide
CID 7741672

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-1-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-1-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]pyrrolidine-2-carboxamide (CID 46406174) is N-(3,5-dichlorophenyl)-1-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-1-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-1-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]pyrrolidine-2-carboxamide is COc1cc(NC(=O)CN2CCCC2C(=O)Nc2cc(Cl)cc(Cl)c2)cc(OC)c1OC.
What is the InChIKey of N-(3,5-dichlorophenyl)-1-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is XCQIANIYTQTPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2N3O5/c1-30-18-10-16(11-19(31-2)21(18)32-3)25-20(28)12-27-6-4-5-17(27)22(29)26-15-8-13(23)7-14(24)9-15/h7-11,17H,4-6,12H2,1-3H3,(H,25,28)(H,26,29).
What are the key properties of N-(3,5-dichlorophenyl)-1-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]pyrrolidine-2-carboxamide?
N-(3,5-dichlorophenyl)-1-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 482.36 g/mol, XLogP of 4.06, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-1-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 46406174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).