N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propoxybenzohydrazide

C18H18Cl2N2O4 — CID 4938584

IUPACN'-[2-(2,4-dichlorophenoxy)acetyl]-4-propoxybenzohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H18Cl2N2O4/c1-2-9-25-14-6-3-12(4-7-14)18(24)22-21-17(23)11-26-16-8-5-13(19)10-15(16)20/h3-8,10H,2,9,11H2,1H3,(H,21,23)(H,22,24)
InChIKeyHDZFONXHNUDETP-UHFFFAOYSA-N
MW397.26 g/mol
LogP3.62
Rot. Bonds7

About N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propoxybenzohydrazide

N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propoxybenzohydrazide (PubChem CID 4938584) has the molecular formula C18H18Cl2N2O4 and a molecular weight of 397.26 g/mol. Its IUPAC name is N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2,4-dichlorophenoxy)acetyl]-4-propoxybenzohydrazide
PubChem CID4938584
Molecular FormulaC18H18Cl2N2O4
Molecular Weight397.26 g/mol
Exact Mass396.06
IUPAC NameN'-[2-(2,4-dichlorophenoxy)acetyl]-4-propoxybenzohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H18Cl2N2O4/c1-2-9-25-14-6-3-12(4-7-14)18(24)22-21-17(23)11-26-16-8-5-13(19)10-15(16)20/h3-8,10H,2,9,11H2,1H3,(H,21,23)(H,22,24)
InChIKeyHDZFONXHNUDETP-UHFFFAOYSA-N
XLogP3.62
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.26
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-N'-[2-(2,4-dichlorophenoxy)acetyl]benzohydrazide
CID 4936335
N'-[2-(2,4-dichlorophenoxy)acetyl]-4-(2-ethoxyethoxy)benzohydrazide
CID 17112743
N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-pentoxybenzohydrazide
CID 4935342
N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propan-2-yloxybenzohydrazide
CID 4952085
methyl 4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]benzoate
CID 17178356
N-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamothioyl]-4-hexoxybenzamide
CID 4934583
N'-[2-(4-chloro-2-methylphenoxy)acetyl]-4-hexoxybenzohydrazide
CID 4930734
N-(2,4-dichlorophenyl)-4-oxo-4-[2-(4-propoxybenzoyl)hydrazinyl]butanamide
CID 4938660
N'-[2-(2,4-dichlorophenoxy)acetyl]-3,4-dimethoxybenzohydrazide
CID 1107945
N-[4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]phenyl]pentanamide
CID 4926287
N'-[2-(2,4-dichlorophenoxy)acetyl]-3,4,5-trimethoxybenzohydrazide
CID 2818575
N-[4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]phenyl]benzamide
CID 3293473

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propoxybenzohydrazide?
The IUPAC name of N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propoxybenzohydrazide (CID 4938584) is N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propoxybenzohydrazide.
What is the SMILES notation for N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propoxybenzohydrazide?
The canonical SMILES for N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propoxybenzohydrazide is CCCOc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propoxybenzohydrazide?
The InChIKey is HDZFONXHNUDETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O4/c1-2-9-25-14-6-3-12(4-7-14)18(24)22-21-17(23)11-26-16-8-5-13(19)10-15(16)20/h3-8,10H,2,9,11H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propoxybenzohydrazide?
N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propoxybenzohydrazide has a molecular weight of 397.26 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propoxybenzohydrazide is sourced from PubChem (CID 4938584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).