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

C26H27BrN2O4 — CID 17350916

IUPAC5-bromo-2-(3-methylbutoxy)-N'-[2-(4-phenylphenoxy)acetyl]benzohydrazide
SMILESCC(C)CCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H27BrN2O4/c1-18(2)14-15-32-24-13-10-21(27)16-23(24)26(31)29-28-25(30)17-33-22-11-8-20(9-12-22)19-6-4-3-5-7-19/h3-13,16,18H,14-15,17H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyMOWYDRPLRLQQRN-UHFFFAOYSA-N
MW511.42 g/mol
LogP5.38
Rot. Bonds9

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

5-bromo-2-(3-methylbutoxy)-N'-[2-(4-phenylphenoxy)acetyl]benzohydrazide (PubChem CID 17350916) has the molecular formula C26H27BrN2O4 and a molecular weight of 511.42 g/mol. Its IUPAC name is 5-bromo-2-(3-methylbutoxy)-N'-[2-(4-phenylphenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name5-bromo-2-(3-methylbutoxy)-N'-[2-(4-phenylphenoxy)acetyl]benzohydrazide
PubChem CID17350916
Molecular FormulaC26H27BrN2O4
Molecular Weight511.42 g/mol
Exact Mass510.12
IUPAC Name5-bromo-2-(3-methylbutoxy)-N'-[2-(4-phenylphenoxy)acetyl]benzohydrazide
SMILESCC(C)CCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H27BrN2O4/c1-18(2)14-15-32-24-13-10-21(27)16-23(24)26(31)29-28-25(30)17-33-22-11-8-20(9-12-22)19-6-4-3-5-7-19/h3-13,16,18H,14-15,17H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyMOWYDRPLRLQQRN-UHFFFAOYSA-N
XLogP5.38
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.42
LogP ≤ 55.38
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]amino]carbamothioyl]benzamide
CID 17351221
5-bromo-2-(3-methylbutoxy)-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 17350845
2-(3-methylbutoxy)-N'-(2-phenoxyacetyl)benzohydrazide
CID 4943974
5-bromo-N'-[4-(3-methylbutoxy)benzoyl]-2-(2-phenylethoxy)benzohydrazide
CID 17046444
5-bromo-2-(3-methylbutoxy)-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 17350932
5-bromo-2-butoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
CID 17350231
5-bromo-N'-(2-phenoxyacetyl)-2-(2-phenylethoxy)benzohydrazide
CID 17046364
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-phenylbenzamide
CID 17350689
5-bromo-N'-[2-(4-methylphenoxy)acetyl]-2-propan-2-yloxybenzohydrazide
CID 17051707
5-bromo-2-butoxy-N'-(4-phenylbenzoyl)benzohydrazide
CID 17350206

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-methylbutoxy)-N'-[2-(4-phenylphenoxy)acetyl]benzohydrazide?
The IUPAC name of 5-bromo-2-(3-methylbutoxy)-N'-[2-(4-phenylphenoxy)acetyl]benzohydrazide (CID 17350916) is 5-bromo-2-(3-methylbutoxy)-N'-[2-(4-phenylphenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 5-bromo-2-(3-methylbutoxy)-N'-[2-(4-phenylphenoxy)acetyl]benzohydrazide?
The canonical SMILES for 5-bromo-2-(3-methylbutoxy)-N'-[2-(4-phenylphenoxy)acetyl]benzohydrazide is CC(C)CCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 5-bromo-2-(3-methylbutoxy)-N'-[2-(4-phenylphenoxy)acetyl]benzohydrazide?
The InChIKey is MOWYDRPLRLQQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27BrN2O4/c1-18(2)14-15-32-24-13-10-21(27)16-23(24)26(31)29-28-25(30)17-33-22-11-8-20(9-12-22)19-6-4-3-5-7-19/h3-13,16,18H,14-15,17H2,1-2H3,(H,28,30)(H,29,31).
What are the key properties of 5-bromo-2-(3-methylbutoxy)-N'-[2-(4-phenylphenoxy)acetyl]benzohydrazide?
5-bromo-2-(3-methylbutoxy)-N'-[2-(4-phenylphenoxy)acetyl]benzohydrazide has a molecular weight of 511.42 g/mol, XLogP of 5.38, 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-phenylphenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 17350916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).