[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-phenylbutanoate

C19H19BrN2O4 — CID 18207921

IUPAC[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-phenylbutanoate
SMILESCCC(C(=O)OCC(=O)NNC(=O)c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C19H19BrN2O4/c1-2-16(13-6-4-3-5-7-13)19(25)26-12-17(23)21-22-18(24)14-8-10-15(20)11-9-14/h3-11,16H,2,12H2,1H3,(H,21,23)(H,22,24)
InChIKeyZZABLOOXROWDIT-UHFFFAOYSA-N
MW419.28 g/mol
LogP2.95
Rot. Bonds6

About [2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-phenylbutanoate

[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-phenylbutanoate (PubChem CID 18207921) has the molecular formula C19H19BrN2O4 and a molecular weight of 419.28 g/mol. Its IUPAC name is [2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-phenylbutanoate.

Molecular Properties

Compound Name[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-phenylbutanoate
PubChem CID18207921
Molecular FormulaC19H19BrN2O4
Molecular Weight419.28 g/mol
Exact Mass418.05
IUPAC Name[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-phenylbutanoate
SMILESCCC(C(=O)OCC(=O)NNC(=O)c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C19H19BrN2O4/c1-2-16(13-6-4-3-5-7-13)19(25)26-12-17(23)21-22-18(24)14-8-10-15(20)11-9-14/h3-11,16H,2,12H2,1H3,(H,21,23)(H,22,24)
InChIKeyZZABLOOXROWDIT-UHFFFAOYSA-N
XLogP2.95
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.28
LogP ≤ 52.95
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

[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] (2R)-2-phenylbutanoate
CID 7433512
[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] (2S)-2-phenylbutanoate
CID 8753833
[2-(2-benzoylhydrazinyl)-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate
CID 7772337
[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 3-benzamido-3-phenylpropanoate
CID 16503850
[2-(3-bromoanilino)-2-oxoethyl] (2S)-2-phenylbutanoate
CID 2336027
[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] (2S)-2-phenylbutanoate
CID 2089813
[2-(4-carbamoylanilino)-2-oxoethyl] (2S)-2-phenylbutanoate
CID 2353550
[2-oxo-2-(2-phenylethylamino)ethyl] (2R)-2-phenylbutanoate
CID 7811561
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] (2S)-2-phenylbutanoate
CID 9230008
[2-(2-acetylanilino)-2-oxoethyl] 2-phenylbutanoate
CID 3676896
[2-[2-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]hydrazinyl]-2-oxoethyl] 2-phenylbutanoate
CID 55443881
4-bromo-N'-(2-phenylacetyl)benzohydrazide
CID 2304118

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-phenylbutanoate?
The IUPAC name of [2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-phenylbutanoate (CID 18207921) is [2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-phenylbutanoate.
What is the SMILES notation for [2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-phenylbutanoate?
The canonical SMILES for [2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-phenylbutanoate is CCC(C(=O)OCC(=O)NNC(=O)c1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of [2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-phenylbutanoate?
The InChIKey is ZZABLOOXROWDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O4/c1-2-16(13-6-4-3-5-7-13)19(25)26-12-17(23)21-22-18(24)14-8-10-15(20)11-9-14/h3-11,16H,2,12H2,1H3,(H,21,23)(H,22,24).
What are the key properties of [2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-phenylbutanoate?
[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-phenylbutanoate has a molecular weight of 419.28 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-phenylbutanoate is sourced from PubChem (CID 18207921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).