N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-ethoxyacetohydrazide

C14H19ClN2O4 — CID 17140821

IUPACN'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-ethoxyacetohydrazide
SMILESCCOCC(=O)NNC(=O)COc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C14H19ClN2O4/c1-4-20-7-12(18)16-17-13(19)8-21-11-5-9(2)14(15)10(3)6-11/h5-6H,4,7-8H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyZFPWSLHNPDIQMN-UHFFFAOYSA-N
MW314.77 g/mol
LogP1.52
Rot. Bonds6

About N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-ethoxyacetohydrazide

N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-ethoxyacetohydrazide (PubChem CID 17140821) has the molecular formula C14H19ClN2O4 and a molecular weight of 314.77 g/mol. Its IUPAC name is N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-ethoxyacetohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-ethoxyacetohydrazide
PubChem CID17140821
Molecular FormulaC14H19ClN2O4
Molecular Weight314.77 g/mol
Exact Mass314.10
IUPAC NameN'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-ethoxyacetohydrazide
SMILESCCOCC(=O)NNC(=O)COc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C14H19ClN2O4/c1-4-20-7-12(18)16-17-13(19)8-21-11-5-9(2)14(15)10(3)6-11/h5-6H,4,7-8H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyZFPWSLHNPDIQMN-UHFFFAOYSA-N
XLogP1.52
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 51.52
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

N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-4-(2-ethoxyethoxy)benzohydrazide
CID 17112722
N-[[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]carbamothioyl]-4-(2-ethoxyethoxy)benzamide
CID 17113048
2-(4-chloro-3,5-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 873694
1-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-3-phenylurea
CID 732370
N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-(4-ethylphenoxy)propanehydrazide
CID 4953417
N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-4-propan-2-yloxybenzohydrazide
CID 4952066
2-ethoxy-N'-[2-(3-methylphenoxy)acetyl]acetohydrazide
CID 17140856
2-(4-chloro-3,5-dimethylphenoxy)-N-hexadecylacetamide
CID 3539927
2-(4-chloro-3,5-dimethylphenoxy)-N-phenylacetamide
CID 918181
N-(4-bromo-2,6-dimethylphenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 2294565
(1R,2S,3S,4S)-3-[[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 51390926
N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-4-(2-methoxyethoxy)benzohydrazide
CID 17353571

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-ethoxyacetohydrazide?
The IUPAC name of N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-ethoxyacetohydrazide (CID 17140821) is N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-ethoxyacetohydrazide.
What is the SMILES notation for N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-ethoxyacetohydrazide?
The canonical SMILES for N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-ethoxyacetohydrazide is CCOCC(=O)NNC(=O)COc1cc(C)c(Cl)c(C)c1.
What is the InChIKey of N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-ethoxyacetohydrazide?
The InChIKey is ZFPWSLHNPDIQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O4/c1-4-20-7-12(18)16-17-13(19)8-21-11-5-9(2)14(15)10(3)6-11/h5-6H,4,7-8H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-ethoxyacetohydrazide?
N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-ethoxyacetohydrazide has a molecular weight of 314.77 g/mol, XLogP of 1.52, 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-3,5-dimethylphenoxy)acetyl]-2-ethoxyacetohydrazide is sourced from PubChem (CID 17140821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).