N'-[2-(2,4-dichlorophenoxy)propanoyl]-4-propan-2-ylbenzohydrazide

C19H20Cl2N2O3 — CID 17177533

IUPACN'-[2-(2,4-dichlorophenoxy)propanoyl]-4-propan-2-ylbenzohydrazide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C19H20Cl2N2O3/c1-11(2)13-4-6-14(7-5-13)19(25)23-22-18(24)12(3)26-17-9-8-15(20)10-16(17)21/h4-12H,1-3H3,(H,22,24)(H,23,25)
InChIKeyDULZQXPZAILDGO-UHFFFAOYSA-N
MW395.29 g/mol
LogP4.35
Rot. Bonds5

About N'-[2-(2,4-dichlorophenoxy)propanoyl]-4-propan-2-ylbenzohydrazide

N'-[2-(2,4-dichlorophenoxy)propanoyl]-4-propan-2-ylbenzohydrazide (PubChem CID 17177533) has the molecular formula C19H20Cl2N2O3 and a molecular weight of 395.29 g/mol. Its IUPAC name is N'-[2-(2,4-dichlorophenoxy)propanoyl]-4-propan-2-ylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2,4-dichlorophenoxy)propanoyl]-4-propan-2-ylbenzohydrazide
PubChem CID17177533
Molecular FormulaC19H20Cl2N2O3
Molecular Weight395.29 g/mol
Exact Mass394.09
IUPAC NameN'-[2-(2,4-dichlorophenoxy)propanoyl]-4-propan-2-ylbenzohydrazide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C19H20Cl2N2O3/c1-11(2)13-4-6-14(7-5-13)19(25)23-22-18(24)12(3)26-17-9-8-15(20)10-16(17)21/h4-12H,1-3H3,(H,22,24)(H,23,25)
InChIKeyDULZQXPZAILDGO-UHFFFAOYSA-N
XLogP4.35
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N',4-N'-bis[2-(2,4-dichlorophenoxy)propanoyl]benzene-1,4-dicarbohydrazide
CID 3359373
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
(2R)-2-(2,4-dichlorophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 1335441
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
2-(2,4-dichlorophenoxy)-N'-(2,2,2-trifluoroacetyl)propanehydrazide
CID 3349726
N'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]-3-methylbutanehydrazide
CID 41387582

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,4-dichlorophenoxy)propanoyl]-4-propan-2-ylbenzohydrazide?
The IUPAC name of N'-[2-(2,4-dichlorophenoxy)propanoyl]-4-propan-2-ylbenzohydrazide (CID 17177533) is N'-[2-(2,4-dichlorophenoxy)propanoyl]-4-propan-2-ylbenzohydrazide.
What is the SMILES notation for N'-[2-(2,4-dichlorophenoxy)propanoyl]-4-propan-2-ylbenzohydrazide?
The canonical SMILES for N'-[2-(2,4-dichlorophenoxy)propanoyl]-4-propan-2-ylbenzohydrazide is CC(Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of N'-[2-(2,4-dichlorophenoxy)propanoyl]-4-propan-2-ylbenzohydrazide?
The InChIKey is DULZQXPZAILDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O3/c1-11(2)13-4-6-14(7-5-13)19(25)23-22-18(24)12(3)26-17-9-8-15(20)10-16(17)21/h4-12H,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(2,4-dichlorophenoxy)propanoyl]-4-propan-2-ylbenzohydrazide?
N'-[2-(2,4-dichlorophenoxy)propanoyl]-4-propan-2-ylbenzohydrazide has a molecular weight of 395.29 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,4-dichlorophenoxy)propanoyl]-4-propan-2-ylbenzohydrazide is sourced from PubChem (CID 17177533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).