N'-[2-(2-bromo-4-phenylphenoxy)acetyl]-2-prop-2-enoxybenzohydrazide

C24H21BrN2O4 — CID 4960851

IUPACN'-[2-(2-bromo-4-phenylphenoxy)acetyl]-2-prop-2-enoxybenzohydrazide
SMILESC=CCOc1ccccc1C(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1Br
InChIInChI=1S/C24H21BrN2O4/c1-2-14-30-21-11-7-6-10-19(21)24(29)27-26-23(28)16-31-22-13-12-18(15-20(22)25)17-8-4-3-5-9-17/h2-13,15H,1,14,16H2,(H,26,28)(H,27,29)
InChIKeyAPFWSPSLIIEOQX-UHFFFAOYSA-N
MW481.35 g/mol
LogP4.52
Rot. Bonds8

About N'-[2-(2-bromo-4-phenylphenoxy)acetyl]-2-prop-2-enoxybenzohydrazide

N'-[2-(2-bromo-4-phenylphenoxy)acetyl]-2-prop-2-enoxybenzohydrazide (PubChem CID 4960851) has the molecular formula C24H21BrN2O4 and a molecular weight of 481.35 g/mol. Its IUPAC name is N'-[2-(2-bromo-4-phenylphenoxy)acetyl]-2-prop-2-enoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-bromo-4-phenylphenoxy)acetyl]-2-prop-2-enoxybenzohydrazide
PubChem CID4960851
Molecular FormulaC24H21BrN2O4
Molecular Weight481.35 g/mol
Exact Mass480.07
IUPAC NameN'-[2-(2-bromo-4-phenylphenoxy)acetyl]-2-prop-2-enoxybenzohydrazide
SMILESC=CCOc1ccccc1C(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1Br
InChIInChI=1S/C24H21BrN2O4/c1-2-14-30-21-11-7-6-10-19(21)24(29)27-26-23(28)16-31-22-13-12-18(15-20(22)25)17-8-4-3-5-9-17/h2-13,15H,1,14,16H2,(H,26,28)(H,27,29)
InChIKeyAPFWSPSLIIEOQX-UHFFFAOYSA-N
XLogP4.52
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.35
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2-bromo-4-phenylphenoxy)acetyl]-2-iodobenzohydrazide
CID 4960754
2-(2-bromo-4-phenylphenoxy)-N-(2-prop-2-enoxyphenyl)acetamide
CID 17098032
N'-[2-(2-chlorophenoxy)acetyl]-2-prop-2-enoxybenzohydrazide
CID 4929148
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-prop-2-enoxybenzohydrazide
CID 4929141
N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-prop-2-enoxybenzohydrazide
CID 4929181
3-bromo-N'-(2-prop-2-enoxybenzoyl)-4-propoxybenzohydrazide
CID 17342922
N'-(2-naphthalen-2-yloxyacetyl)-2-prop-2-enoxybenzohydrazide
CID 4929060
N-benzyl-4-[2-[2-(2-bromo-4-phenylphenoxy)acetyl]hydrazinyl]-4-oxobutanamide
CID 4960797
N'-[2-(2-bromo-4-phenylphenoxy)acetyl]-4-nitrobenzohydrazide
CID 4960799
N'-[2-(4-methoxyphenoxy)acetyl]-2-prop-2-enoxybenzohydrazide
CID 4929179
2-(4-bromo-2-methylphenoxy)-N'-[2-(2-bromo-4-phenylphenoxy)acetyl]acetohydrazide
CID 4960831
5-bromo-2-methoxy-N'-(2-prop-2-enoxybenzoyl)benzohydrazide
CID 17094423

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-bromo-4-phenylphenoxy)acetyl]-2-prop-2-enoxybenzohydrazide?
The IUPAC name of N'-[2-(2-bromo-4-phenylphenoxy)acetyl]-2-prop-2-enoxybenzohydrazide (CID 4960851) is N'-[2-(2-bromo-4-phenylphenoxy)acetyl]-2-prop-2-enoxybenzohydrazide.
What is the SMILES notation for N'-[2-(2-bromo-4-phenylphenoxy)acetyl]-2-prop-2-enoxybenzohydrazide?
The canonical SMILES for N'-[2-(2-bromo-4-phenylphenoxy)acetyl]-2-prop-2-enoxybenzohydrazide is C=CCOc1ccccc1C(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1Br.
What is the InChIKey of N'-[2-(2-bromo-4-phenylphenoxy)acetyl]-2-prop-2-enoxybenzohydrazide?
The InChIKey is APFWSPSLIIEOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrN2O4/c1-2-14-30-21-11-7-6-10-19(21)24(29)27-26-23(28)16-31-22-13-12-18(15-20(22)25)17-8-4-3-5-9-17/h2-13,15H,1,14,16H2,(H,26,28)(H,27,29).
What are the key properties of N'-[2-(2-bromo-4-phenylphenoxy)acetyl]-2-prop-2-enoxybenzohydrazide?
N'-[2-(2-bromo-4-phenylphenoxy)acetyl]-2-prop-2-enoxybenzohydrazide has a molecular weight of 481.35 g/mol, XLogP of 4.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-bromo-4-phenylphenoxy)acetyl]-2-prop-2-enoxybenzohydrazide is sourced from PubChem (CID 4960851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).