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

C15H10BrCl2N3O5 — CID 4633302

IUPACN'-[2-(4-bromo-2-chlorophenoxy)acetyl]-4-chloro-3-nitrobenzohydrazide
SMILESO=C(COc1ccc(Br)cc1Cl)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C15H10BrCl2N3O5/c16-9-2-4-13(11(18)6-9)26-7-14(22)19-20-15(23)8-1-3-10(17)12(5-8)21(24)25/h1-6H,7H2,(H,19,22)(H,20,23)
InChIKeyVWMIPBOFWXQMJI-UHFFFAOYSA-N
MW463.07 g/mol
LogP3.50
Rot. Bonds5

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

N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-4-chloro-3-nitrobenzohydrazide (PubChem CID 4633302) has the molecular formula C15H10BrCl2N3O5 and a molecular weight of 463.07 g/mol. Its IUPAC name is N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-4-chloro-3-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-bromo-2-chlorophenoxy)acetyl]-4-chloro-3-nitrobenzohydrazide
PubChem CID4633302
Molecular FormulaC15H10BrCl2N3O5
Molecular Weight463.07 g/mol
Exact Mass460.92
IUPAC NameN'-[2-(4-bromo-2-chlorophenoxy)acetyl]-4-chloro-3-nitrobenzohydrazide
SMILESO=C(COc1ccc(Br)cc1Cl)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C15H10BrCl2N3O5/c16-9-2-4-13(11(18)6-9)26-7-14(22)19-20-15(23)8-1-3-10(17)12(5-8)21(24)25/h1-6H,7H2,(H,19,22)(H,20,23)
InChIKeyVWMIPBOFWXQMJI-UHFFFAOYSA-N
XLogP3.50
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.07
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]-3-nitrobenzohydrazide
CID 19168127
4-chloro-N'-[4-(2,4-dichlorophenoxy)butanoyl]-3-nitrobenzohydrazide
CID 3382871
4-chloro-N'-[2-(4-ethoxyphenoxy)acetyl]-3-nitrobenzohydrazide
CID 19168126
2-(4-bromo-2-chlorophenoxy)-N-(4-fluoro-2-nitrophenyl)acetamide
CID 5013304
N-(5-bromo-2-chlorophenyl)-4-chloro-3-nitrobenzamide
CID 62908558
3-bromo-N-[[(4-chloro-3-nitrobenzoyl)amino]carbamothioyl]-4-methoxybenzamide
CID 4502347
2-(4-bromo-2-ethylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide
CID 19202492
2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[[(4-chloro-3-nitrobenzoyl)amino]carbamothioyl]acetamide
CID 5181933
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2,4-dimethylbenzohydrazide
CID 9276630
4-bromo-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]benzohydrazide
CID 54790834
4-[2-[2-(4-bromo-2-chlorophenoxy)acetyl]hydrazinyl]-4-oxobutanoic acid
CID 4632414
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-(4-bromo-2-propan-2-ylphenoxy)acetohydrazide
CID 17189105

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-4-chloro-3-nitrobenzohydrazide?
The IUPAC name of N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-4-chloro-3-nitrobenzohydrazide (CID 4633302) is N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-4-chloro-3-nitrobenzohydrazide.
What is the SMILES notation for N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-4-chloro-3-nitrobenzohydrazide?
The canonical SMILES for N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-4-chloro-3-nitrobenzohydrazide is O=C(COc1ccc(Br)cc1Cl)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-4-chloro-3-nitrobenzohydrazide?
The InChIKey is VWMIPBOFWXQMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrCl2N3O5/c16-9-2-4-13(11(18)6-9)26-7-14(22)19-20-15(23)8-1-3-10(17)12(5-8)21(24)25/h1-6H,7H2,(H,19,22)(H,20,23).
What are the key properties of N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-4-chloro-3-nitrobenzohydrazide?
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-4-chloro-3-nitrobenzohydrazide has a molecular weight of 463.07 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-4-chloro-3-nitrobenzohydrazide is sourced from PubChem (CID 4633302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).