N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-3-(2-phenylethoxy)benzohydrazide

C27H23BrN2O4 — CID 17134491

IUPACN'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-3-(2-phenylethoxy)benzohydrazide
SMILESO=C(COc1ccc2ccccc2c1Br)NNC(=O)c1cccc(OCCc2ccccc2)c1
InChIInChI=1S/C27H23BrN2O4/c28-26-23-12-5-4-9-20(23)13-14-24(26)34-18-25(31)29-30-27(32)21-10-6-11-22(17-21)33-16-15-19-7-2-1-3-8-19/h1-14,17H,15-16,18H2,(H,29,31)(H,30,32)
InChIKeyUTSUSQSHUADQIW-UHFFFAOYSA-N
MW519.40 g/mol
LogP5.06
Rot. Bonds8

About N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-3-(2-phenylethoxy)benzohydrazide

N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-3-(2-phenylethoxy)benzohydrazide (PubChem CID 17134491) has the molecular formula C27H23BrN2O4 and a molecular weight of 519.40 g/mol. Its IUPAC name is N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-3-(2-phenylethoxy)benzohydrazide.

Molecular Properties

Compound NameN'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-3-(2-phenylethoxy)benzohydrazide
PubChem CID17134491
Molecular FormulaC27H23BrN2O4
Molecular Weight519.40 g/mol
Exact Mass518.08
IUPAC NameN'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-3-(2-phenylethoxy)benzohydrazide
SMILESO=C(COc1ccc2ccccc2c1Br)NNC(=O)c1cccc(OCCc2ccccc2)c1
InChIInChI=1S/C27H23BrN2O4/c28-26-23-12-5-4-9-20(23)13-14-24(26)34-18-25(31)29-30-27(32)21-10-6-11-22(17-21)33-16-15-19-7-2-1-3-8-19/h1-14,17H,15-16,18H2,(H,29,31)(H,30,32)
InChIKeyUTSUSQSHUADQIW-UHFFFAOYSA-N
XLogP5.06
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.40
LogP ≤ 55.06
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

N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide
CID 17134531
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide
CID 17134530
3-(2-phenylethoxy)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 17134455
N'-[2-(4-methoxyphenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide
CID 17134452
3-bromo-N-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamothioyl]-4-(2-phenylethoxy)benzamide
CID 17073163
N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-(2-phenoxyethoxy)benzohydrazide
CID 4954463
N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-2-(2-phenylethoxy)benzohydrazide
CID 19628301
N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-3-(2-methylpropoxy)benzohydrazide
CID 17140455
N-naphthalen-2-yl-3-(2-phenylethoxy)benzamide
CID 17232036
3-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-4-ethoxybenzohydrazide
CID 17073886
N'-[2-(4-nitrophenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide
CID 17134509
2-(1-bromonaphthalen-2-yl)oxy-N-[3-(2-methoxyethoxy)phenyl]acetamide
CID 17169791

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-3-(2-phenylethoxy)benzohydrazide?
The IUPAC name of N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-3-(2-phenylethoxy)benzohydrazide (CID 17134491) is N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-3-(2-phenylethoxy)benzohydrazide.
What is the SMILES notation for N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-3-(2-phenylethoxy)benzohydrazide?
The canonical SMILES for N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-3-(2-phenylethoxy)benzohydrazide is O=C(COc1ccc2ccccc2c1Br)NNC(=O)c1cccc(OCCc2ccccc2)c1.
What is the InChIKey of N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-3-(2-phenylethoxy)benzohydrazide?
The InChIKey is UTSUSQSHUADQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23BrN2O4/c28-26-23-12-5-4-9-20(23)13-14-24(26)34-18-25(31)29-30-27(32)21-10-6-11-22(17-21)33-16-15-19-7-2-1-3-8-19/h1-14,17H,15-16,18H2,(H,29,31)(H,30,32).
What are the key properties of N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-3-(2-phenylethoxy)benzohydrazide?
N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-3-(2-phenylethoxy)benzohydrazide has a molecular weight of 519.40 g/mol, XLogP of 5.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-3-(2-phenylethoxy)benzohydrazide is sourced from PubChem (CID 17134491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).