5-bromo-N'-[2-(4-chlorophenyl)acetyl]-2-propan-2-yloxybenzohydrazide

C18H18BrClN2O3 — CID 17051761

IUPAC5-bromo-N'-[2-(4-chlorophenyl)acetyl]-2-propan-2-yloxybenzohydrazide
SMILESCC(C)Oc1ccc(Br)cc1C(=O)NNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H18BrClN2O3/c1-11(2)25-16-8-5-13(19)10-15(16)18(24)22-21-17(23)9-12-3-6-14(20)7-4-12/h3-8,10-11H,9H2,1-2H3,(H,21,23)(H,22,24)
InChIKeySIGQNLKYUQEJGH-UHFFFAOYSA-N
MW425.71 g/mol
LogP3.89
Rot. Bonds5

About 5-bromo-N'-[2-(4-chlorophenyl)acetyl]-2-propan-2-yloxybenzohydrazide

5-bromo-N'-[2-(4-chlorophenyl)acetyl]-2-propan-2-yloxybenzohydrazide (PubChem CID 17051761) has the molecular formula C18H18BrClN2O3 and a molecular weight of 425.71 g/mol. Its IUPAC name is 5-bromo-N'-[2-(4-chlorophenyl)acetyl]-2-propan-2-yloxybenzohydrazide.

Molecular Properties

Compound Name5-bromo-N'-[2-(4-chlorophenyl)acetyl]-2-propan-2-yloxybenzohydrazide
PubChem CID17051761
Molecular FormulaC18H18BrClN2O3
Molecular Weight425.71 g/mol
Exact Mass424.02
IUPAC Name5-bromo-N'-[2-(4-chlorophenyl)acetyl]-2-propan-2-yloxybenzohydrazide
SMILESCC(C)Oc1ccc(Br)cc1C(=O)NNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H18BrClN2O3/c1-11(2)25-16-8-5-13(19)10-15(16)18(24)22-21-17(23)9-12-3-6-14(20)7-4-12/h3-8,10-11H,9H2,1-2H3,(H,21,23)(H,22,24)
InChIKeySIGQNLKYUQEJGH-UHFFFAOYSA-N
XLogP3.89
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.71
LogP ≤ 53.89
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

5-bromo-N'-(2-ethoxyacetyl)-2-propan-2-yloxybenzohydrazide
CID 17140952
5-bromo-N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-propan-2-yloxybenzohydrazide
CID 17051749
5-bromo-N'-[2-(4-chlorophenyl)acetyl]-2-iodobenzohydrazide
CID 34574883
5-bromo-N'-[2-(4-methylphenoxy)acetyl]-2-propan-2-yloxybenzohydrazide
CID 17051707
5-bromo-N-[[[2-(4-chlorophenyl)acetyl]amino]carbamothioyl]-2-ethoxybenzamide
CID 17353410
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-propan-2-yloxybenzohydrazide
CID 17045697
5-bromo-2-propan-2-yloxy-N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 17051675
2-(4-bromophenoxy)-N'-[2-(4-chlorophenyl)acetyl]propanehydrazide
CID 55348588
5-bromo-N-(5-chloro-2-methylphenyl)-2-propan-2-yloxybenzamide
CID 17051536
(2S)-2-(3-bromophenoxy)-N'-[2-(4-chlorophenyl)acetyl]propanehydrazide
CID 9371143
5-bromo-2-ethoxy-N'-(2-phenylacetyl)benzohydrazide
CID 17353032
5-bromo-N-(3-chlorophenyl)-2-propan-2-yloxybenzamide
CID 17051414

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-[2-(4-chlorophenyl)acetyl]-2-propan-2-yloxybenzohydrazide?
The IUPAC name of 5-bromo-N'-[2-(4-chlorophenyl)acetyl]-2-propan-2-yloxybenzohydrazide (CID 17051761) is 5-bromo-N'-[2-(4-chlorophenyl)acetyl]-2-propan-2-yloxybenzohydrazide.
What is the SMILES notation for 5-bromo-N'-[2-(4-chlorophenyl)acetyl]-2-propan-2-yloxybenzohydrazide?
The canonical SMILES for 5-bromo-N'-[2-(4-chlorophenyl)acetyl]-2-propan-2-yloxybenzohydrazide is CC(C)Oc1ccc(Br)cc1C(=O)NNC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 5-bromo-N'-[2-(4-chlorophenyl)acetyl]-2-propan-2-yloxybenzohydrazide?
The InChIKey is SIGQNLKYUQEJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrClN2O3/c1-11(2)25-16-8-5-13(19)10-15(16)18(24)22-21-17(23)9-12-3-6-14(20)7-4-12/h3-8,10-11H,9H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 5-bromo-N'-[2-(4-chlorophenyl)acetyl]-2-propan-2-yloxybenzohydrazide?
5-bromo-N'-[2-(4-chlorophenyl)acetyl]-2-propan-2-yloxybenzohydrazide has a molecular weight of 425.71 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N'-[2-(4-chlorophenyl)acetyl]-2-propan-2-yloxybenzohydrazide is sourced from PubChem (CID 17051761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).