5-bromo-N'-[4-(3-methylbutoxy)benzoyl]-2-(2-phenylethoxy)benzohydrazide

C27H29BrN2O4 — CID 17046444

IUPAC5-bromo-N'-[4-(3-methylbutoxy)benzoyl]-2-(2-phenylethoxy)benzohydrazide
SMILESCC(C)CCOc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1
InChIInChI=1S/C27H29BrN2O4/c1-19(2)14-16-33-23-11-8-21(9-12-23)26(31)29-30-27(32)24-18-22(28)10-13-25(24)34-17-15-20-6-4-3-5-7-20/h3-13,18-19H,14-17H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyUJZBWTYNOSDPSD-UHFFFAOYSA-N
MW525.44 g/mol
LogP5.57
Rot. Bonds10

About 5-bromo-N'-[4-(3-methylbutoxy)benzoyl]-2-(2-phenylethoxy)benzohydrazide

5-bromo-N'-[4-(3-methylbutoxy)benzoyl]-2-(2-phenylethoxy)benzohydrazide (PubChem CID 17046444) has the molecular formula C27H29BrN2O4 and a molecular weight of 525.44 g/mol. Its IUPAC name is 5-bromo-N'-[4-(3-methylbutoxy)benzoyl]-2-(2-phenylethoxy)benzohydrazide.

Molecular Properties

Compound Name5-bromo-N'-[4-(3-methylbutoxy)benzoyl]-2-(2-phenylethoxy)benzohydrazide
PubChem CID17046444
Molecular FormulaC27H29BrN2O4
Molecular Weight525.44 g/mol
Exact Mass524.13
IUPAC Name5-bromo-N'-[4-(3-methylbutoxy)benzoyl]-2-(2-phenylethoxy)benzohydrazide
SMILESCC(C)CCOc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1
InChIInChI=1S/C27H29BrN2O4/c1-19(2)14-16-33-23-11-8-21(9-12-23)26(31)29-30-27(32)24-18-22(28)10-13-25(24)34-17-15-20-6-4-3-5-7-20/h3-13,18-19H,14-17H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyUJZBWTYNOSDPSD-UHFFFAOYSA-N
XLogP5.57
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.44
LogP ≤ 55.57
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'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 17350932
N'-[4-(3-methylbutoxy)benzoyl]-4-(2-phenylethoxy)benzohydrazide
CID 4956685
N'-[4-(3-methylbutoxy)benzoyl]-3-(2-phenylethoxy)benzohydrazide
CID 17134546
5-bromo-2-(3-methylbutoxy)-N'-[2-(4-phenylphenoxy)acetyl]benzohydrazide
CID 17350916
5-bromo-N'-(2-phenoxyacetyl)-2-(2-phenylethoxy)benzohydrazide
CID 17046364
5-bromo-2-butoxy-N-[[[4-(3-methylbutoxy)benzoyl]amino]carbamothioyl]benzamide
CID 17350631
N-[4-[[[5-bromo-2-(2-phenylethoxy)benzoyl]amino]carbamoyl]phenyl]-4-tert-butylbenzamide
CID 17046423
5-bromo-2-(3-methylbutoxy)-N-[[[4-(2-methylpropoxy)benzoyl]amino]carbamothioyl]benzamide
CID 17351237
5-bromo-N-[[(4-methoxybenzoyl)amino]carbamothioyl]-2-(3-methylbutoxy)benzamide
CID 17351166
N-[4-[[[5-bromo-2-(2-phenylethoxy)benzoyl]amino]carbamoyl]phenyl]-3-methylbenzamide
CID 17046394
N'-benzoyl-5-bromo-2-(2-methoxyethoxy)benzohydrazide
CID 17357395
5-bromo-2-(3-methylbutoxy)-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 17350845

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-[4-(3-methylbutoxy)benzoyl]-2-(2-phenylethoxy)benzohydrazide?
The IUPAC name of 5-bromo-N'-[4-(3-methylbutoxy)benzoyl]-2-(2-phenylethoxy)benzohydrazide (CID 17046444) is 5-bromo-N'-[4-(3-methylbutoxy)benzoyl]-2-(2-phenylethoxy)benzohydrazide.
What is the SMILES notation for 5-bromo-N'-[4-(3-methylbutoxy)benzoyl]-2-(2-phenylethoxy)benzohydrazide?
The canonical SMILES for 5-bromo-N'-[4-(3-methylbutoxy)benzoyl]-2-(2-phenylethoxy)benzohydrazide is CC(C)CCOc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1.
What is the InChIKey of 5-bromo-N'-[4-(3-methylbutoxy)benzoyl]-2-(2-phenylethoxy)benzohydrazide?
The InChIKey is UJZBWTYNOSDPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29BrN2O4/c1-19(2)14-16-33-23-11-8-21(9-12-23)26(31)29-30-27(32)24-18-22(28)10-13-25(24)34-17-15-20-6-4-3-5-7-20/h3-13,18-19H,14-17H2,1-2H3,(H,29,31)(H,30,32).
What are the key properties of 5-bromo-N'-[4-(3-methylbutoxy)benzoyl]-2-(2-phenylethoxy)benzohydrazide?
5-bromo-N'-[4-(3-methylbutoxy)benzoyl]-2-(2-phenylethoxy)benzohydrazide has a molecular weight of 525.44 g/mol, XLogP of 5.57, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N'-[4-(3-methylbutoxy)benzoyl]-2-(2-phenylethoxy)benzohydrazide is sourced from PubChem (CID 17046444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).