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

C19H21ClN2O5 — CID 17353570

IUPACN'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-(2-methoxyethoxy)benzohydrazide
SMILESCOCCOc1ccc(C(=O)NNC(=O)COc2ccc(Cl)c(C)c2)cc1
InChIInChI=1S/C19H21ClN2O5/c1-13-11-16(7-8-17(13)20)27-12-18(23)21-22-19(24)14-3-5-15(6-4-14)26-10-9-25-2/h3-8,11H,9-10,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyZFNFNKSBONKAFZ-UHFFFAOYSA-N
MW392.84 g/mol
LogP2.51
Rot. Bonds8

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

N'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-(2-methoxyethoxy)benzohydrazide (PubChem CID 17353570) has the molecular formula C19H21ClN2O5 and a molecular weight of 392.84 g/mol. Its IUPAC name is N'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-(2-methoxyethoxy)benzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-(2-methoxyethoxy)benzohydrazide
PubChem CID17353570
Molecular FormulaC19H21ClN2O5
Molecular Weight392.84 g/mol
Exact Mass392.11
IUPAC NameN'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-(2-methoxyethoxy)benzohydrazide
SMILESCOCCOc1ccc(C(=O)NNC(=O)COc2ccc(Cl)c(C)c2)cc1
InChIInChI=1S/C19H21ClN2O5/c1-13-11-16(7-8-17(13)20)27-12-18(23)21-22-19(24)14-3-5-15(6-4-14)26-10-9-25-2/h3-8,11H,9-10,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyZFNFNKSBONKAFZ-UHFFFAOYSA-N
XLogP2.51
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.84
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-methoxyethoxy)benzohydrazide
CID 17353571
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-4-(2-ethoxyethoxy)benzohydrazide
CID 17112722
N'-[2-(4-chloro-3-methylphenoxy)acetyl]-3-methylbenzohydrazide
CID 965968
N'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-(4-methylphenoxy)butanehydrazide
CID 18268166
N'-[2-(4-chloro-3-methylphenoxy)acetyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 24543065
N'-[2-(2,4-dimethylphenoxy)acetyl]-4-(2-methoxyethoxy)benzohydrazide
CID 17353575
N'-[4-(4-chloro-3-methylphenoxy)butanoyl]pyridine-4-carbohydrazide
CID 24819773
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-(2-ethoxyethoxy)benzohydrazide
CID 17112781
methyl 3-[[[2-(4-chloro-3-methylphenoxy)acetyl]amino]carbamoyl]-5-nitrobenzoate
CID 18209878
N'-[2-(4-chloro-3-methylphenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide
CID 2715725
1-[[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]amino]-3-(2-methoxyethyl)thiourea
CID 8626240

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-(2-methoxyethoxy)benzohydrazide?
The IUPAC name of N'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-(2-methoxyethoxy)benzohydrazide (CID 17353570) is N'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-(2-methoxyethoxy)benzohydrazide.
What is the SMILES notation for N'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-(2-methoxyethoxy)benzohydrazide?
The canonical SMILES for N'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-(2-methoxyethoxy)benzohydrazide is COCCOc1ccc(C(=O)NNC(=O)COc2ccc(Cl)c(C)c2)cc1.
What is the InChIKey of N'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-(2-methoxyethoxy)benzohydrazide?
The InChIKey is ZFNFNKSBONKAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O5/c1-13-11-16(7-8-17(13)20)27-12-18(23)21-22-19(24)14-3-5-15(6-4-14)26-10-9-25-2/h3-8,11H,9-10,12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-(2-methoxyethoxy)benzohydrazide?
N'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-(2-methoxyethoxy)benzohydrazide has a molecular weight of 392.84 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-(2-methoxyethoxy)benzohydrazide is sourced from PubChem (CID 17353570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).