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

C22H25Cl2N3O2 — CID 55627894

IUPACN-(3,5-dichlorophenyl)-1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
SMILESCCc1cccc(C)c1NC(=O)CN1CCCC1C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C22H25Cl2N3O2/c1-3-15-7-4-6-14(2)21(15)26-20(28)13-27-9-5-8-19(27)22(29)25-18-11-16(23)10-17(24)12-18/h4,6-7,10-12,19H,3,5,8-9,13H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyNRSYAXRPRYCXQI-UHFFFAOYSA-N
MW434.37 g/mol
LogP4.91
Rot. Bonds6

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

N-(3,5-dichlorophenyl)-1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide (PubChem CID 55627894) has the molecular formula C22H25Cl2N3O2 and a molecular weight of 434.37 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
PubChem CID55627894
Molecular FormulaC22H25Cl2N3O2
Molecular Weight434.37 g/mol
Exact Mass433.13
IUPAC NameN-(3,5-dichlorophenyl)-1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
SMILESCCc1cccc(C)c1NC(=O)CN1CCCC1C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C22H25Cl2N3O2/c1-3-15-7-4-6-14(2)21(15)26-20(28)13-27-9-5-8-19(27)22(29)25-18-11-16(23)10-17(24)12-18/h4,6-7,10-12,19H,3,5,8-9,13H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyNRSYAXRPRYCXQI-UHFFFAOYSA-N
XLogP4.91
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.37
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide
CID 46406069
1-[2-(2,6-diethylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119908992
1-[2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide
CID 46406070
N-(2-ethyl-6-methylphenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 16554808
N-(3,5-dichlorophenyl)-1-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]pyrrolidine-2-carboxamide
CID 46406174
N-(2-ethyl-6-methylphenyl)-2-(2-formylpiperidin-1-yl)acetamide
CID 62654437
N-(3,5-dichlorophenyl)-1-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]pyrrolidine-2-carboxamide
CID 46406252
N-(3,4-dichlorophenyl)-1-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]piperidine-2-carboxamide
CID 43063775
N-(2-ethyl-6-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 17463207
N-(3,5-dichlorophenyl)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrolidine-2-carboxamide
CID 55628088
2-[(2S)-1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]piperidin-2-yl]acetamide
CID 94795427
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 51172206

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide (CID 55627894) is N-(3,5-dichlorophenyl)-1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide is CCc1cccc(C)c1NC(=O)CN1CCCC1C(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide?
The InChIKey is NRSYAXRPRYCXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2N3O2/c1-3-15-7-4-6-14(2)21(15)26-20(28)13-27-9-5-8-19(27)22(29)25-18-11-16(23)10-17(24)12-18/h4,6-7,10-12,19H,3,5,8-9,13H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of N-(3,5-dichlorophenyl)-1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide?
N-(3,5-dichlorophenyl)-1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide has a molecular weight of 434.37 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 55627894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).