1-(2,5-dichlorobenzoyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrrolidine-2-carboxamide

C23H25Cl2N3O3 — CID 55655996

IUPAC1-(2,5-dichlorobenzoyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrrolidine-2-carboxamide
SMILESCCC(=O)Nc1ccc(C(C)NC(=O)C2CCCN2C(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C23H25Cl2N3O3/c1-3-21(29)27-17-9-6-15(7-10-17)14(2)26-22(30)20-5-4-12-28(20)23(31)18-13-16(24)8-11-19(18)25/h6-11,13-14,20H,3-5,12H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyAFTYNGUWXFZMNK-UHFFFAOYSA-N
MW462.38 g/mol
LogP4.82
Rot. Bonds6

About 1-(2,5-dichlorobenzoyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrrolidine-2-carboxamide

1-(2,5-dichlorobenzoyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrrolidine-2-carboxamide (PubChem CID 55655996) has the molecular formula C23H25Cl2N3O3 and a molecular weight of 462.38 g/mol. Its IUPAC name is 1-(2,5-dichlorobenzoyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2,5-dichlorobenzoyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrrolidine-2-carboxamide
PubChem CID55655996
Molecular FormulaC23H25Cl2N3O3
Molecular Weight462.38 g/mol
Exact Mass461.13
IUPAC Name1-(2,5-dichlorobenzoyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrrolidine-2-carboxamide
SMILESCCC(=O)Nc1ccc(C(C)NC(=O)C2CCCN2C(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C23H25Cl2N3O3/c1-3-21(29)27-17-9-6-15(7-10-17)14(2)26-22(30)20-5-4-12-28(20)23(31)18-13-16(24)8-11-19(18)25/h6-11,13-14,20H,3-5,12H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyAFTYNGUWXFZMNK-UHFFFAOYSA-N
XLogP4.82
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.38
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-1-(2,5-dichlorobenzoyl)pyrrolidine-2-carboxamide;hydrochloride
CID 120507098
1-(2,5-dichlorobenzoyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyrrolidine-2-carboxamide
CID 55618324
(2S)-1-(2,5-dichlorobenzoyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyrrolidine-2-carboxamide
CID 35263471
(2S)-1-(2,5-dichlorobenzoyl)-N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 52908800
2-[[1-(2,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]acetic acid
CID 119171180
tert-butyl (2S)-2-[[(1S)-1-(4-chlorophenyl)ethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 51968674
(2S)-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 46580849
propan-2-yl (2S)-3-[[(2S)-1-(2,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]-2-methylpropanoate
CID 97018653
1-N-(4-chlorophenyl)-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
CID 3219672
[(2S)-1-(2,5-dichlorobenzoyl)pyrrolidin-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 95282111
ethyl 3-[[1-(2,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]benzoate
CID 55607238
(2R)-1-(2,5-dichlorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide
CID 51937320

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorobenzoyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2,5-dichlorobenzoyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrrolidine-2-carboxamide (CID 55655996) is 1-(2,5-dichlorobenzoyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2,5-dichlorobenzoyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2,5-dichlorobenzoyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrrolidine-2-carboxamide is CCC(=O)Nc1ccc(C(C)NC(=O)C2CCCN2C(=O)c2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 1-(2,5-dichlorobenzoyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrrolidine-2-carboxamide?
The InChIKey is AFTYNGUWXFZMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N3O3/c1-3-21(29)27-17-9-6-15(7-10-17)14(2)26-22(30)20-5-4-12-28(20)23(31)18-13-16(24)8-11-19(18)25/h6-11,13-14,20H,3-5,12H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of 1-(2,5-dichlorobenzoyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrrolidine-2-carboxamide?
1-(2,5-dichlorobenzoyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrrolidine-2-carboxamide has a molecular weight of 462.38 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorobenzoyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 55655996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).