5-bromo-2-(3-methylbutoxy)-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide

C23H29BrN2O4 — CID 17350845

IUPAC5-bromo-2-(3-methylbutoxy)-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide
SMILESCC(C)CCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(C(C)C)cc1
InChIInChI=1S/C23H29BrN2O4/c1-15(2)11-12-29-21-10-7-18(24)13-20(21)23(28)26-25-22(27)14-30-19-8-5-17(6-9-19)16(3)4/h5-10,13,15-16H,11-12,14H2,1-4H3,(H,25,27)(H,26,28)
InChIKeyNNHMLQTXSHYMOQ-UHFFFAOYSA-N
MW477.40 g/mol
LogP4.84
Rot. Bonds9

About 5-bromo-2-(3-methylbutoxy)-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide

5-bromo-2-(3-methylbutoxy)-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide (PubChem CID 17350845) has the molecular formula C23H29BrN2O4 and a molecular weight of 477.40 g/mol. Its IUPAC name is 5-bromo-2-(3-methylbutoxy)-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name5-bromo-2-(3-methylbutoxy)-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide
PubChem CID17350845
Molecular FormulaC23H29BrN2O4
Molecular Weight477.40 g/mol
Exact Mass476.13
IUPAC Name5-bromo-2-(3-methylbutoxy)-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide
SMILESCC(C)CCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(C(C)C)cc1
InChIInChI=1S/C23H29BrN2O4/c1-15(2)11-12-29-21-10-7-18(24)13-20(21)23(28)26-25-22(27)14-30-19-8-5-17(6-9-19)16(3)4/h5-10,13,15-16H,11-12,14H2,1-4H3,(H,25,27)(H,26,28)
InChIKeyNNHMLQTXSHYMOQ-UHFFFAOYSA-N
XLogP4.84
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.40
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-(3-methylbutoxy)-N'-[2-(4-phenylphenoxy)acetyl]benzohydrazide
CID 17350916
5-bromo-2-(2-methoxyethoxy)-N-[[[2-(4-propan-2-ylphenoxy)acetyl]amino]carbamothioyl]benzamide
CID 17357658
5-bromo-2-(3-methylbutoxy)-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 17350932
5-bromo-2-(2-methoxyethoxy)-N'-[2-(4-methoxyphenoxy)acetyl]benzohydrazide
CID 17357334
5-bromo-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-2-(3-methylbutoxy)benzohydrazide
CID 17350895
5-bromo-2-(3-methylbutoxy)-N-[[[2-(4-phenylphenoxy)acetyl]amino]carbamothioyl]benzamide
CID 17351221
5-bromo-2-butoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
CID 17350231
5-bromo-2-(3-methylbutoxy)-N-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioyl]benzamide
CID 17351198
5-bromo-N'-[2-(4-methylphenoxy)acetyl]-2-propan-2-yloxybenzohydrazide
CID 17051707
5-bromo-N'-[4-(3-methylbutoxy)benzoyl]-2-(2-phenylethoxy)benzohydrazide
CID 17046444
2-(3-methylbutoxy)-N'-(2-phenoxyacetyl)benzohydrazide
CID 4943974
5-bromo-N-[4-(2-methoxyethoxy)phenyl]-2-(3-methylbutoxy)benzamide
CID 17350835

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-methylbutoxy)-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide?
The IUPAC name of 5-bromo-2-(3-methylbutoxy)-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide (CID 17350845) is 5-bromo-2-(3-methylbutoxy)-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 5-bromo-2-(3-methylbutoxy)-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide?
The canonical SMILES for 5-bromo-2-(3-methylbutoxy)-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide is CC(C)CCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(C(C)C)cc1.
What is the InChIKey of 5-bromo-2-(3-methylbutoxy)-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide?
The InChIKey is NNHMLQTXSHYMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29BrN2O4/c1-15(2)11-12-29-21-10-7-18(24)13-20(21)23(28)26-25-22(27)14-30-19-8-5-17(6-9-19)16(3)4/h5-10,13,15-16H,11-12,14H2,1-4H3,(H,25,27)(H,26,28).
What are the key properties of 5-bromo-2-(3-methylbutoxy)-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide?
5-bromo-2-(3-methylbutoxy)-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide has a molecular weight of 477.40 g/mol, XLogP of 4.84, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-methylbutoxy)-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 17350845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).