N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-methylbenzohydrazide

C16H14BrClN2O3 — CID 5245314

IUPACN'-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-methylbenzohydrazide
SMILESCc1cccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Br)c1
InChIInChI=1S/C16H14BrClN2O3/c1-10-3-2-4-11(7-10)16(22)20-19-15(21)9-23-14-6-5-12(18)8-13(14)17/h2-8H,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyRFNWVPDLDHRCIL-UHFFFAOYSA-N
MW397.66 g/mol
LogP3.25
Rot. Bonds4

About N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-methylbenzohydrazide

N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-methylbenzohydrazide (PubChem CID 5245314) has the molecular formula C16H14BrClN2O3 and a molecular weight of 397.66 g/mol. Its IUPAC name is N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-methylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-methylbenzohydrazide
PubChem CID5245314
Molecular FormulaC16H14BrClN2O3
Molecular Weight397.66 g/mol
Exact Mass395.99
IUPAC NameN'-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-methylbenzohydrazide
SMILESCc1cccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Br)c1
InChIInChI=1S/C16H14BrClN2O3/c1-10-3-2-4-11(7-10)16(22)20-19-15(21)9-23-14-6-5-12(18)8-13(14)17/h2-8H,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyRFNWVPDLDHRCIL-UHFFFAOYSA-N
XLogP3.25
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.66
LogP ≤ 53.25
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

3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164499
N'-[2-(4-chlorophenoxy)acetyl]-3-methylbenzohydrazide
CID 732324
4-bromo-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]benzohydrazide
CID 54790834
N-[4-[[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]carbamoyl]phenyl]-3-methylbenzamide
CID 17350309
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-3-propan-2-yloxybenzohydrazide
CID 17142569
N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methylbenzohydrazide
CID 965967
2-(2-bromo-4-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]acetohydrazide
CID 5229550
N-[4-[[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]carbamoyl]phenyl]propanamide
CID 5229018
2-(2-bromo-4-methylphenoxy)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]acetohydrazide
CID 5089524
3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 11839533
3-bromo-N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propan-2-yloxybenzohydrazide
CID 17355468
N'-[2-(4-chloro-3-methylphenoxy)acetyl]-3-methylbenzohydrazide
CID 965968

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-methylbenzohydrazide?
The IUPAC name of N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-methylbenzohydrazide (CID 5245314) is N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-methylbenzohydrazide.
What is the SMILES notation for N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-methylbenzohydrazide?
The canonical SMILES for N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-methylbenzohydrazide is Cc1cccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Br)c1.
What is the InChIKey of N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-methylbenzohydrazide?
The InChIKey is RFNWVPDLDHRCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN2O3/c1-10-3-2-4-11(7-10)16(22)20-19-15(21)9-23-14-6-5-12(18)8-13(14)17/h2-8H,9H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-methylbenzohydrazide?
N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-methylbenzohydrazide has a molecular weight of 397.66 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-methylbenzohydrazide is sourced from PubChem (CID 5245314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).