1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-N-(2,5-dichlorophenyl)pyrrolidine-2-carboxamide

C23H24Cl2N4O3 — CID 46406317

IUPAC1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-N-(2,5-dichlorophenyl)pyrrolidine-2-carboxamide
SMILESO=C(CN1CCCC1C(=O)Nc1cc(Cl)ccc1Cl)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C23H24Cl2N4O3/c24-14-7-10-17(25)19(12-14)28-23(32)20-6-3-11-29(20)13-21(30)27-18-5-2-1-4-16(18)22(31)26-15-8-9-15/h1-2,4-5,7,10,12,15,20H,3,6,8-9,11,13H2,(H,26,31)(H,27,30)(H,28,32)
InChIKeyFQCLTUKPCYIVOP-UHFFFAOYSA-N
MW475.38 g/mol
LogP3.93
Rot. Bonds7

About 1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-N-(2,5-dichlorophenyl)pyrrolidine-2-carboxamide

1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-N-(2,5-dichlorophenyl)pyrrolidine-2-carboxamide (PubChem CID 46406317) has the molecular formula C23H24Cl2N4O3 and a molecular weight of 475.38 g/mol. Its IUPAC name is 1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-N-(2,5-dichlorophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-N-(2,5-dichlorophenyl)pyrrolidine-2-carboxamide
PubChem CID46406317
Molecular FormulaC23H24Cl2N4O3
Molecular Weight475.38 g/mol
Exact Mass474.12
IUPAC Name1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-N-(2,5-dichlorophenyl)pyrrolidine-2-carboxamide
SMILESO=C(CN1CCCC1C(=O)Nc1cc(Cl)ccc1Cl)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C23H24Cl2N4O3/c24-14-7-10-17(25)19(12-14)28-23(32)20-6-3-11-29(20)13-21(30)27-18-5-2-1-4-16(18)22(31)26-15-8-9-15/h1-2,4-5,7,10,12,15,20H,3,6,8-9,11,13H2,(H,26,31)(H,27,30)(H,28,32)
InChIKeyFQCLTUKPCYIVOP-UHFFFAOYSA-N
XLogP3.93
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.38
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,5-dichloroanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441795
N-(2,5-dichlorophenyl)-1-[2-oxo-2-(pentan-3-ylamino)ethyl]pyrrolidine-2-carboxamide
CID 46406120
tert-butyl 2-[2-[(2,5-dichlorophenyl)carbamoyl]pyrrolidin-1-yl]acetate
CID 46406204
1-[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide
CID 60570447
(2S)-1-[2-(2-acetylanilino)-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide
CID 51725831
(2S)-N-(2,4-dichlorophenyl)-1-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]pyrrolidine-2-carboxamide
CID 129419103
N-cyclopropyl-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzamide
CID 7729391
2-[[2-[4-(2-chlorophenyl)piperazin-1-yl]acetyl]amino]-N-cyclopropylbenzamide
CID 8704585
N-cyclopentyl-2-[[2-(2-ethylpiperidin-1-yl)acetyl]amino]benzamide
CID 46800658
methyl 2-[(2R)-1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]piperidin-2-yl]acetate
CID 51965662
N-(2,4-dichlorophenyl)-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-2-carboxamide
CID 42957890
N-cyclopropyl-2-[[2-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrrolidin-1-yl]acetyl]amino]benzamide
CID 78830545

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-N-(2,5-dichlorophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-N-(2,5-dichlorophenyl)pyrrolidine-2-carboxamide (CID 46406317) is 1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-N-(2,5-dichlorophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-N-(2,5-dichlorophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-N-(2,5-dichlorophenyl)pyrrolidine-2-carboxamide is O=C(CN1CCCC1C(=O)Nc1cc(Cl)ccc1Cl)Nc1ccccc1C(=O)NC1CC1.
What is the InChIKey of 1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-N-(2,5-dichlorophenyl)pyrrolidine-2-carboxamide?
The InChIKey is FQCLTUKPCYIVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N4O3/c24-14-7-10-17(25)19(12-14)28-23(32)20-6-3-11-29(20)13-21(30)27-18-5-2-1-4-16(18)22(31)26-15-8-9-15/h1-2,4-5,7,10,12,15,20H,3,6,8-9,11,13H2,(H,26,31)(H,27,30)(H,28,32).
What are the key properties of 1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-N-(2,5-dichlorophenyl)pyrrolidine-2-carboxamide?
1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-N-(2,5-dichlorophenyl)pyrrolidine-2-carboxamide has a molecular weight of 475.38 g/mol, XLogP of 3.93, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-N-(2,5-dichlorophenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 46406317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).