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

C17H17ClN2O3 — CID 965968

IUPACN'-[2-(4-chloro-3-methylphenoxy)acetyl]-3-methylbenzohydrazide
SMILESCc1cccc(C(=O)NNC(=O)COc2ccc(Cl)c(C)c2)c1
InChIInChI=1S/C17H17ClN2O3/c1-11-4-3-5-13(8-11)17(22)20-19-16(21)10-23-14-6-7-15(18)12(2)9-14/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyPIHXCHRMLKGJKB-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.80
Rot. Bonds4

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

N'-[2-(4-chloro-3-methylphenoxy)acetyl]-3-methylbenzohydrazide (PubChem CID 965968) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is N'-[2-(4-chloro-3-methylphenoxy)acetyl]-3-methylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chloro-3-methylphenoxy)acetyl]-3-methylbenzohydrazide
PubChem CID965968
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC NameN'-[2-(4-chloro-3-methylphenoxy)acetyl]-3-methylbenzohydrazide
SMILESCc1cccc(C(=O)NNC(=O)COc2ccc(Cl)c(C)c2)c1
InChIInChI=1S/C17H17ClN2O3/c1-11-4-3-5-13(8-11)17(22)20-19-16(21)10-23-14-6-7-15(18)12(2)9-14/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyPIHXCHRMLKGJKB-UHFFFAOYSA-N
XLogP2.80
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-chlorophenoxy)acetyl]-3-methylbenzohydrazide
CID 732324
3-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 732321
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
N'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-(2-methoxyethoxy)benzohydrazide
CID 17353570
N-[4-[[[2-(4-chlorophenoxy)acetyl]amino]carbamoyl]phenyl]-3-methylbenzamide
CID 3347368
N'-[2-(4-chloro-3-methylphenoxy)acetyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 24543065
4-benzoyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 7601018
3-methyl-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
CID 932571
N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methylbenzohydrazide
CID 965967
N'-[2-(3-methylphenoxy)acetyl]-3-(2-phenoxyethoxy)benzohydrazide
CID 4955104
N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-methylbenzohydrazide
CID 5245314
N'-[2-(4-chloro-3-methylphenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide
CID 2715725

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chloro-3-methylphenoxy)acetyl]-3-methylbenzohydrazide?
The IUPAC name of N'-[2-(4-chloro-3-methylphenoxy)acetyl]-3-methylbenzohydrazide (CID 965968) is N'-[2-(4-chloro-3-methylphenoxy)acetyl]-3-methylbenzohydrazide.
What is the SMILES notation for N'-[2-(4-chloro-3-methylphenoxy)acetyl]-3-methylbenzohydrazide?
The canonical SMILES for N'-[2-(4-chloro-3-methylphenoxy)acetyl]-3-methylbenzohydrazide is Cc1cccc(C(=O)NNC(=O)COc2ccc(Cl)c(C)c2)c1.
What is the InChIKey of N'-[2-(4-chloro-3-methylphenoxy)acetyl]-3-methylbenzohydrazide?
The InChIKey is PIHXCHRMLKGJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-11-4-3-5-13(8-11)17(22)20-19-16(21)10-23-14-6-7-15(18)12(2)9-14/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-[2-(4-chloro-3-methylphenoxy)acetyl]-3-methylbenzohydrazide?
N'-[2-(4-chloro-3-methylphenoxy)acetyl]-3-methylbenzohydrazide has a molecular weight of 332.79 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chloro-3-methylphenoxy)acetyl]-3-methylbenzohydrazide is sourced from PubChem (CID 965968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).