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

C18H18Cl2N2O4 — CID 4952085

IUPACN'-[2-(2,4-dichlorophenoxy)acetyl]-4-propan-2-yloxybenzohydrazide
SMILESCC(C)Oc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H18Cl2N2O4/c1-11(2)26-14-6-3-12(4-7-14)18(24)22-21-17(23)10-25-16-8-5-13(19)9-15(16)20/h3-9,11H,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyDQRHSVUOBBATFQ-UHFFFAOYSA-N
MW397.26 g/mol
LogP3.62
Rot. Bonds6

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

N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propan-2-yloxybenzohydrazide (PubChem CID 4952085) 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-propan-2-yloxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2,4-dichlorophenoxy)acetyl]-4-propan-2-yloxybenzohydrazide
PubChem CID4952085
Molecular FormulaC18H18Cl2N2O4
Molecular Weight397.26 g/mol
Exact Mass396.06
IUPAC NameN'-[2-(2,4-dichlorophenoxy)acetyl]-4-propan-2-yloxybenzohydrazide
SMILESCC(C)Oc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H18Cl2N2O4/c1-11(2)26-14-6-3-12(4-7-14)18(24)22-21-17(23)10-25-16-8-5-13(19)9-15(16)20/h3-9,11H,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyDQRHSVUOBBATFQ-UHFFFAOYSA-N
XLogP3.62
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

3-bromo-N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propan-2-yloxybenzohydrazide
CID 17355468
N'-[2-(2,4-dichlorophenoxy)acetyl]-4-(2-ethoxyethoxy)benzohydrazide
CID 17112743
4-butoxy-N'-[2-(2,4-dichlorophenoxy)acetyl]benzohydrazide
CID 4936335
N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propoxybenzohydrazide
CID 4938584
methyl 4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]benzoate
CID 17178356
N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-4-propan-2-yloxybenzohydrazide
CID 4952066
N'-[2-(2,4-dichlorophenoxy)acetyl]-3,4-dimethoxybenzohydrazide
CID 1107945
2,4-dichloro-N'-(4-propan-2-yloxybenzoyl)benzohydrazide
CID 4952081
N-[4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]phenyl]benzamide
CID 3293473
2-(2,4-dichlorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide
CID 99993692
N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-4-propan-2-yloxybenzohydrazide
CID 4952125
2-(2,4-dichlorophenoxy)-N'-[2-(2,4-dichlorophenoxy)acetyl]propanehydrazide
CID 3120230

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propan-2-yloxybenzohydrazide?
The IUPAC name of N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propan-2-yloxybenzohydrazide (CID 4952085) is N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propan-2-yloxybenzohydrazide.
What is the SMILES notation for N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propan-2-yloxybenzohydrazide?
The canonical SMILES for N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propan-2-yloxybenzohydrazide is CC(C)Oc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propan-2-yloxybenzohydrazide?
The InChIKey is DQRHSVUOBBATFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O4/c1-11(2)26-14-6-3-12(4-7-14)18(24)22-21-17(23)10-25-16-8-5-13(19)9-15(16)20/h3-9,11H,10H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propan-2-yloxybenzohydrazide?
N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propan-2-yloxybenzohydrazide has a molecular weight of 397.26 g/mol, XLogP of 3.62, 6 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-propan-2-yloxybenzohydrazide is sourced from PubChem (CID 4952085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).