N'-[2-(4-chloro-2-methylphenoxy)acetyl]-3-ethoxybenzohydrazide

C18H19ClN2O4 — CID 4957534

IUPACN'-[2-(4-chloro-2-methylphenoxy)acetyl]-3-ethoxybenzohydrazide
SMILESCCOc1cccc(C(=O)NNC(=O)COc2ccc(Cl)cc2C)c1
InChIInChI=1S/C18H19ClN2O4/c1-3-24-15-6-4-5-13(10-15)18(23)21-20-17(22)11-25-16-8-7-14(19)9-12(16)2/h4-10H,3,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyULUNYIYMNLHYRX-UHFFFAOYSA-N
MW362.81 g/mol
LogP2.89
Rot. Bonds6

About N'-[2-(4-chloro-2-methylphenoxy)acetyl]-3-ethoxybenzohydrazide

N'-[2-(4-chloro-2-methylphenoxy)acetyl]-3-ethoxybenzohydrazide (PubChem CID 4957534) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is N'-[2-(4-chloro-2-methylphenoxy)acetyl]-3-ethoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chloro-2-methylphenoxy)acetyl]-3-ethoxybenzohydrazide
PubChem CID4957534
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC NameN'-[2-(4-chloro-2-methylphenoxy)acetyl]-3-ethoxybenzohydrazide
SMILESCCOc1cccc(C(=O)NNC(=O)COc2ccc(Cl)cc2C)c1
InChIInChI=1S/C18H19ClN2O4/c1-3-24-15-6-4-5-13(10-15)18(23)21-20-17(22)11-25-16-8-7-14(19)9-12(16)2/h4-10H,3,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyULUNYIYMNLHYRX-UHFFFAOYSA-N
XLogP2.89
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 52.89
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-chloro-N'-[2-(4-chloro-2-methylphenoxy)acetyl]benzohydrazide
CID 5182764
2,4-dichloro-N'-(3-ethoxybenzoyl)benzohydrazide
CID 4957514
3-(2-ethoxyethoxy)-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 17139730
N-[[[2-(4-chloro-2-methylphenoxy)acetyl]amino]carbamothioyl]-3-(3-methylbutoxy)benzamide
CID 4982119
N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-chlorophenoxy)acetohydrazide
CID 5186778
3-bromo-N'-[2-(4-bromo-2-methylphenoxy)acetyl]benzohydrazide
CID 54790769
3-butan-2-yloxy-N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide
CID 17149862
N'-[2-(4-chloro-2-methylphenoxy)acetyl]-4-hexoxybenzohydrazide
CID 4930734
5,6-dichloro-N'-[2-(4-chloro-2-methylphenoxy)acetyl]pyridine-3-carbohydrazide
CID 7943823
6-chloro-N'-[2-(4-chloro-2-methylphenoxy)acetyl]pyridine-3-carbohydrazide
CID 78771863
N'-[2-(4-chloro-2-methylphenoxy)acetyl]butanehydrazide
CID 3250924
N'-[2-(4-bromo-2-methylphenoxy)acetyl]-3-(2-methylpropoxy)benzohydrazide
CID 17140458

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chloro-2-methylphenoxy)acetyl]-3-ethoxybenzohydrazide?
The IUPAC name of N'-[2-(4-chloro-2-methylphenoxy)acetyl]-3-ethoxybenzohydrazide (CID 4957534) is N'-[2-(4-chloro-2-methylphenoxy)acetyl]-3-ethoxybenzohydrazide.
What is the SMILES notation for N'-[2-(4-chloro-2-methylphenoxy)acetyl]-3-ethoxybenzohydrazide?
The canonical SMILES for N'-[2-(4-chloro-2-methylphenoxy)acetyl]-3-ethoxybenzohydrazide is CCOc1cccc(C(=O)NNC(=O)COc2ccc(Cl)cc2C)c1.
What is the InChIKey of N'-[2-(4-chloro-2-methylphenoxy)acetyl]-3-ethoxybenzohydrazide?
The InChIKey is ULUNYIYMNLHYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4/c1-3-24-15-6-4-5-13(10-15)18(23)21-20-17(22)11-25-16-8-7-14(19)9-12(16)2/h4-10H,3,11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(4-chloro-2-methylphenoxy)acetyl]-3-ethoxybenzohydrazide?
N'-[2-(4-chloro-2-methylphenoxy)acetyl]-3-ethoxybenzohydrazide has a molecular weight of 362.81 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chloro-2-methylphenoxy)acetyl]-3-ethoxybenzohydrazide is sourced from PubChem (CID 4957534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).