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

C22H23Cl3N4O3 — CID 46406070

IUPAC1-[2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)CNC(=O)CN1CCCC1C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C22H23Cl3N4O3/c1-13-17(25)4-2-5-18(13)28-20(30)11-26-21(31)12-29-7-3-6-19(29)22(32)27-16-9-14(23)8-15(24)10-16/h2,4-5,8-10,19H,3,6-7,11-12H2,1H3,(H,26,31)(H,27,32)(H,28,30)
InChIKeySAWGJRFKIORBFT-UHFFFAOYSA-N
MW497.81 g/mol
LogP4.11
Rot. Bonds7

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

1-[2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide (PubChem CID 46406070) has the molecular formula C22H23Cl3N4O3 and a molecular weight of 497.81 g/mol. Its IUPAC name is 1-[2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide
PubChem CID46406070
Molecular FormulaC22H23Cl3N4O3
Molecular Weight497.81 g/mol
Exact Mass496.08
IUPAC Name1-[2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)CNC(=O)CN1CCCC1C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C22H23Cl3N4O3/c1-13-17(25)4-2-5-18(13)28-20(30)11-26-21(31)12-29-7-3-6-19(29)22(32)27-16-9-14(23)8-15(24)10-16/h2,4-5,8-10,19H,3,6-7,11-12H2,1H3,(H,26,31)(H,27,32)(H,28,30)
InChIKeySAWGJRFKIORBFT-UHFFFAOYSA-N
XLogP4.11
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.81
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119908495
1-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide
CID 46406069
N-(3,4-dichlorophenyl)-1-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]piperidine-2-carboxamide
CID 43063775
N-(3,5-dichlorophenyl)-1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 55627894
N-(3-chloro-2-methylphenyl)-2-[[2-(2-thiophen-2-ylpyrrolidin-1-yl)acetyl]amino]acetamide
CID 18197577
2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-(3-chloro-2-methylphenyl)acetamide
CID 102681522
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-(3,4,5-trimethoxyanilino)ethyl]pyrrolidine-2-carboxamide
CID 46406174
2-N-(3-chloro-2-methylphenyl)-1-N-(3,5-dichlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109143030
(2R)-1-[3-(3-chloro-2-methylanilino)-3-oxopropyl]pyrrolidine-2-carboxamide
CID 91836434
N-(3-chloro-2-methylphenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928402
(3S)-3-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]piperidine-1,3-dicarboxamide
CID 51924999

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide (CID 46406070) is 1-[2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide is Cc1c(Cl)cccc1NC(=O)CNC(=O)CN1CCCC1C(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-[2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide?
The InChIKey is SAWGJRFKIORBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl3N4O3/c1-13-17(25)4-2-5-18(13)28-20(30)11-26-21(31)12-29-7-3-6-19(29)22(32)27-16-9-14(23)8-15(24)10-16/h2,4-5,8-10,19H,3,6-7,11-12H2,1H3,(H,26,31)(H,27,32)(H,28,30).
What are the key properties of 1-[2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide?
1-[2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide has a molecular weight of 497.81 g/mol, XLogP of 4.11, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 46406070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).