3-[2-(4-bromobenzoyl)hydrazinyl]-N-butan-2-ylbut-2-enamide

C15H20BrN3O2 — CID 4130263

IUPAC3-[2-(4-bromobenzoyl)hydrazinyl]-N-butan-2-ylbut-2-enamide
SMILESCCC(C)NC(=O)C=C(C)NNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H20BrN3O2/c1-4-10(2)17-14(20)9-11(3)18-19-15(21)12-5-7-13(16)8-6-12/h5-10,18H,4H2,1-3H3,(H,17,20)(H,19,21)
InChIKeyPZTVDJSRNUKAIW-UHFFFAOYSA-N
MW354.25 g/mol
LogP2.50
Rot. Bonds6

About 3-[2-(4-bromobenzoyl)hydrazinyl]-N-butan-2-ylbut-2-enamide

3-[2-(4-bromobenzoyl)hydrazinyl]-N-butan-2-ylbut-2-enamide (PubChem CID 4130263) has the molecular formula C15H20BrN3O2 and a molecular weight of 354.25 g/mol. Its IUPAC name is 3-[2-(4-bromobenzoyl)hydrazinyl]-N-butan-2-ylbut-2-enamide.

Molecular Properties

Compound Name3-[2-(4-bromobenzoyl)hydrazinyl]-N-butan-2-ylbut-2-enamide
PubChem CID4130263
Molecular FormulaC15H20BrN3O2
Molecular Weight354.25 g/mol
Exact Mass353.07
IUPAC Name3-[2-(4-bromobenzoyl)hydrazinyl]-N-butan-2-ylbut-2-enamide
SMILESCCC(C)NC(=O)C=C(C)NNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H20BrN3O2/c1-4-10(2)17-14(20)9-11(3)18-19-15(21)12-5-7-13(16)8-6-12/h5-10,18H,4H2,1-3H3,(H,17,20)(H,19,21)
InChIKeyPZTVDJSRNUKAIW-UHFFFAOYSA-N
XLogP2.50
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(4-bromophenyl)-N-butan-2-yl-5-oxopentanamide
CID 110406862
4-[[(4-bromobenzoyl)amino]methyl]-N-butan-2-ylbenzamide
CID 4278402
N'-(4-bromobenzoyl)-4-propan-2-ylbenzohydrazide
CID 18229988
N-butan-2-yl-2-[[(4-fluorobenzoyl)amino]carbamoylamino]propanamide
CID 86861293
4-bromo-N-(3-ethylpentan-2-yl)benzamide
CID 55260581
N-[4-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]propanamide
CID 54790881
(E)-N-butan-2-yl-3-(4-chlorophenyl)pent-2-enamide
CID 177444041
4-[(4-bromobenzoyl)carbamothioylamino]-N-butan-2-ylbenzamide
CID 54791779
4-bromo-N-(4-methylsulfanylbutan-2-yl)benzamide
CID 115636139
4-bromo-N-(1-ethylsulfanylpropan-2-yl)benzamide
CID 115662215
4-bromo-N-heptan-2-ylbenzamide
CID 3735409
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] (2S)-2-[(4-bromobenzoyl)amino]-3-methylbutanoate
CID 8880032

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-bromobenzoyl)hydrazinyl]-N-butan-2-ylbut-2-enamide?
The IUPAC name of 3-[2-(4-bromobenzoyl)hydrazinyl]-N-butan-2-ylbut-2-enamide (CID 4130263) is 3-[2-(4-bromobenzoyl)hydrazinyl]-N-butan-2-ylbut-2-enamide.
What is the SMILES notation for 3-[2-(4-bromobenzoyl)hydrazinyl]-N-butan-2-ylbut-2-enamide?
The canonical SMILES for 3-[2-(4-bromobenzoyl)hydrazinyl]-N-butan-2-ylbut-2-enamide is CCC(C)NC(=O)C=C(C)NNC(=O)c1ccc(Br)cc1.
What is the InChIKey of 3-[2-(4-bromobenzoyl)hydrazinyl]-N-butan-2-ylbut-2-enamide?
The InChIKey is PZTVDJSRNUKAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O2/c1-4-10(2)17-14(20)9-11(3)18-19-15(21)12-5-7-13(16)8-6-12/h5-10,18H,4H2,1-3H3,(H,17,20)(H,19,21).
What are the key properties of 3-[2-(4-bromobenzoyl)hydrazinyl]-N-butan-2-ylbut-2-enamide?
3-[2-(4-bromobenzoyl)hydrazinyl]-N-butan-2-ylbut-2-enamide has a molecular weight of 354.25 g/mol, XLogP of 2.50, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-bromobenzoyl)hydrazinyl]-N-butan-2-ylbut-2-enamide is sourced from PubChem (CID 4130263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).