1-(3,5-dichlorobenzoyl)-N'-[2-(4-ethoxyphenoxy)propanoyl]pyrrolidine-2-carbohydrazide

C23H25Cl2N3O5 — CID 55605777

IUPAC1-(3,5-dichlorobenzoyl)-N'-[2-(4-ethoxyphenoxy)propanoyl]pyrrolidine-2-carbohydrazide
SMILESCCOc1ccc(OC(C)C(=O)NNC(=O)C2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C23H25Cl2N3O5/c1-3-32-18-6-8-19(9-7-18)33-14(2)21(29)26-27-22(30)20-5-4-10-28(20)23(31)15-11-16(24)13-17(25)12-15/h6-9,11-14,20H,3-5,10H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyLSDDCDRTEZYIQG-UHFFFAOYSA-N
MW494.38 g/mol
LogP3.61
Rot. Bonds7

About 1-(3,5-dichlorobenzoyl)-N'-[2-(4-ethoxyphenoxy)propanoyl]pyrrolidine-2-carbohydrazide

1-(3,5-dichlorobenzoyl)-N'-[2-(4-ethoxyphenoxy)propanoyl]pyrrolidine-2-carbohydrazide (PubChem CID 55605777) has the molecular formula C23H25Cl2N3O5 and a molecular weight of 494.38 g/mol. Its IUPAC name is 1-(3,5-dichlorobenzoyl)-N'-[2-(4-ethoxyphenoxy)propanoyl]pyrrolidine-2-carbohydrazide.

Molecular Properties

Compound Name1-(3,5-dichlorobenzoyl)-N'-[2-(4-ethoxyphenoxy)propanoyl]pyrrolidine-2-carbohydrazide
PubChem CID55605777
Molecular FormulaC23H25Cl2N3O5
Molecular Weight494.38 g/mol
Exact Mass493.12
IUPAC Name1-(3,5-dichlorobenzoyl)-N'-[2-(4-ethoxyphenoxy)propanoyl]pyrrolidine-2-carbohydrazide
SMILESCCOc1ccc(OC(C)C(=O)NNC(=O)C2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C23H25Cl2N3O5/c1-3-32-18-6-8-19(9-7-18)33-14(2)21(29)26-27-22(30)20-5-4-10-28(20)23(31)15-11-16(24)13-17(25)12-15/h6-9,11-14,20H,3-5,10H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyLSDDCDRTEZYIQG-UHFFFAOYSA-N
XLogP3.61
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.38
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(adamantane-1-carbonyl)-N'-[2-(4-ethoxyphenoxy)propanoyl]pyrrolidine-2-carbohydrazide
CID 55343904
N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]cyclobutanecarbohydrazide
CID 9343438
N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]cyclobutanecarbohydrazide
CID 9343434
(2R)-N-cyclopropyl-1-(4-ethoxybenzoyl)pyrrolidine-2-carboxamide
CID 94061711
1-(3,5-dichlorobenzoyl)-N-(4-hydroxybutan-2-yl)pyrrolidine-2-carboxamide
CID 71847723
1-(3,5-dichlorobenzoyl)-N-[3-(methylamino)propyl]pyrrolidine-2-carboxamide
CID 119429601
3-[[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]butanoic acid
CID 119221005
(2S)-1-(4-ethoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 818098
(2R)-1-(3,5-dichlorobenzoyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 95278526
methyl (2S)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxylate
CID 2337414
(2R)-1-(3,5-dichlorobenzoyl)-N-[(2R)-4-[(S)-methylsulfinyl]butan-2-yl]pyrrolidine-2-carboxamide
CID 98773325
(2S)-1-benzoyl-N-(4-ethoxyphenyl)pyrrolidine-2-carboxamide
CID 92668241

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorobenzoyl)-N'-[2-(4-ethoxyphenoxy)propanoyl]pyrrolidine-2-carbohydrazide?
The IUPAC name of 1-(3,5-dichlorobenzoyl)-N'-[2-(4-ethoxyphenoxy)propanoyl]pyrrolidine-2-carbohydrazide (CID 55605777) is 1-(3,5-dichlorobenzoyl)-N'-[2-(4-ethoxyphenoxy)propanoyl]pyrrolidine-2-carbohydrazide.
What is the SMILES notation for 1-(3,5-dichlorobenzoyl)-N'-[2-(4-ethoxyphenoxy)propanoyl]pyrrolidine-2-carbohydrazide?
The canonical SMILES for 1-(3,5-dichlorobenzoyl)-N'-[2-(4-ethoxyphenoxy)propanoyl]pyrrolidine-2-carbohydrazide is CCOc1ccc(OC(C)C(=O)NNC(=O)C2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of 1-(3,5-dichlorobenzoyl)-N'-[2-(4-ethoxyphenoxy)propanoyl]pyrrolidine-2-carbohydrazide?
The InChIKey is LSDDCDRTEZYIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N3O5/c1-3-32-18-6-8-19(9-7-18)33-14(2)21(29)26-27-22(30)20-5-4-10-28(20)23(31)15-11-16(24)13-17(25)12-15/h6-9,11-14,20H,3-5,10H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of 1-(3,5-dichlorobenzoyl)-N'-[2-(4-ethoxyphenoxy)propanoyl]pyrrolidine-2-carbohydrazide?
1-(3,5-dichlorobenzoyl)-N'-[2-(4-ethoxyphenoxy)propanoyl]pyrrolidine-2-carbohydrazide has a molecular weight of 494.38 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorobenzoyl)-N'-[2-(4-ethoxyphenoxy)propanoyl]pyrrolidine-2-carbohydrazide is sourced from PubChem (CID 55605777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).