1-N',4-N'-bis[2-(2,4-dichlorophenoxy)propanoyl]benzene-1,4-dicarbohydrazide

C26H22Cl4N4O6 — CID 3359373

IUPAC1-N',4-N'-bis[2-(2,4-dichlorophenoxy)propanoyl]benzene-1,4-dicarbohydrazide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccc(C(=O)NNC(=O)C(C)Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C26H22Cl4N4O6/c1-13(39-21-9-7-17(27)11-19(21)29)23(35)31-33-25(37)15-3-5-16(6-4-15)26(38)34-32-24(36)14(2)40-22-10-8-18(28)12-20(22)30/h3-14H,1-2H3,(H,31,35)(H,32,36)(H,33,37)(H,34,38)
InChIKeyYQHYXNYONAYBMX-UHFFFAOYSA-N
MW628.30 g/mol
LogP4.76
Rot. Bonds8

About 1-N',4-N'-bis[2-(2,4-dichlorophenoxy)propanoyl]benzene-1,4-dicarbohydrazide

1-N',4-N'-bis[2-(2,4-dichlorophenoxy)propanoyl]benzene-1,4-dicarbohydrazide (PubChem CID 3359373) has the molecular formula C26H22Cl4N4O6 and a molecular weight of 628.30 g/mol. Its IUPAC name is 1-N',4-N'-bis[2-(2,4-dichlorophenoxy)propanoyl]benzene-1,4-dicarbohydrazide.

Molecular Properties

Compound Name1-N',4-N'-bis[2-(2,4-dichlorophenoxy)propanoyl]benzene-1,4-dicarbohydrazide
PubChem CID3359373
Molecular FormulaC26H22Cl4N4O6
Molecular Weight628.30 g/mol
Exact Mass626.03
IUPAC Name1-N',4-N'-bis[2-(2,4-dichlorophenoxy)propanoyl]benzene-1,4-dicarbohydrazide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccc(C(=O)NNC(=O)C(C)Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C26H22Cl4N4O6/c1-13(39-21-9-7-17(27)11-19(21)29)23(35)31-33-25(37)15-3-5-16(6-4-15)26(38)34-32-24(36)14(2)40-22-10-8-18(28)12-20(22)30/h3-14H,1-2H3,(H,31,35)(H,32,36)(H,33,37)(H,34,38)
InChIKeyYQHYXNYONAYBMX-UHFFFAOYSA-N
XLogP4.76
TPSA134.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500628.30
LogP ≤ 54.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2,4-dichlorophenoxy)propanoyl]-4-propan-2-ylbenzohydrazide
CID 17177533
4-bromo-N'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]benzohydrazide
CID 1107974
N'-[(2S)-2-(2,4-dichlorophenoxy)propanoyl]-4-methoxybenzohydrazide
CID 1104980
N-[4-[[[(2R)-2-(2,4-dichlorophenoxy)propanoyl]amino]carbamoyl]phenyl]benzamide
CID 2210922
3-bromo-N'-[2-(2,4-dichlorophenoxy)propanoyl]benzohydrazide
CID 54790817
N-[4-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamoyl]phenyl]pentanamide
CID 4926324
2-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamoyl]benzoic acid
CID 3349728
N-[[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]carbamothioyl]benzamide
CID 40529986
2-(2,4-dichlorophenoxy)-N'-[2-(2,4-dichlorophenoxy)acetyl]propanehydrazide
CID 3120230
(2S)-2-(2,4-dichlorophenoxy)-N'-(2-methoxyacetyl)propanehydrazide
CID 7046351
N'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]-3-methylbutanehydrazide
CID 41387582
2-(2,4-dichlorophenoxy)-N'-(2,2,2-trifluoroacetyl)propanehydrazide
CID 3349726

Frequently Asked Questions

What is the IUPAC name of 1-N',4-N'-bis[2-(2,4-dichlorophenoxy)propanoyl]benzene-1,4-dicarbohydrazide?
The IUPAC name of 1-N',4-N'-bis[2-(2,4-dichlorophenoxy)propanoyl]benzene-1,4-dicarbohydrazide (CID 3359373) is 1-N',4-N'-bis[2-(2,4-dichlorophenoxy)propanoyl]benzene-1,4-dicarbohydrazide.
What is the SMILES notation for 1-N',4-N'-bis[2-(2,4-dichlorophenoxy)propanoyl]benzene-1,4-dicarbohydrazide?
The canonical SMILES for 1-N',4-N'-bis[2-(2,4-dichlorophenoxy)propanoyl]benzene-1,4-dicarbohydrazide is CC(Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccc(C(=O)NNC(=O)C(C)Oc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 1-N',4-N'-bis[2-(2,4-dichlorophenoxy)propanoyl]benzene-1,4-dicarbohydrazide?
The InChIKey is YQHYXNYONAYBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22Cl4N4O6/c1-13(39-21-9-7-17(27)11-19(21)29)23(35)31-33-25(37)15-3-5-16(6-4-15)26(38)34-32-24(36)14(2)40-22-10-8-18(28)12-20(22)30/h3-14H,1-2H3,(H,31,35)(H,32,36)(H,33,37)(H,34,38).
What are the key properties of 1-N',4-N'-bis[2-(2,4-dichlorophenoxy)propanoyl]benzene-1,4-dicarbohydrazide?
1-N',4-N'-bis[2-(2,4-dichlorophenoxy)propanoyl]benzene-1,4-dicarbohydrazide has a molecular weight of 628.30 g/mol, XLogP of 4.76, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',4-N'-bis[2-(2,4-dichlorophenoxy)propanoyl]benzene-1,4-dicarbohydrazide is sourced from PubChem (CID 3359373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).