2-bromo-N-[2-oxo-2-[(2E)-2-pentan-2-ylidenehydrazinyl]ethyl]benzamide

C14H18BrN3O2 — CID 171980714

IUPAC2-bromo-N-[2-oxo-2-[(2E)-2-pentan-2-ylidenehydrazinyl]ethyl]benzamide
SMILESCCC/C(C)=N/NC(=O)CNC(=O)c1ccccc1Br
InChIInChI=1S/C14H18BrN3O2/c1-3-6-10(2)17-18-13(19)9-16-14(20)11-7-4-5-8-12(11)15/h4-5,7-8H,3,6,9H2,1-2H3,(H,16,20)(H,18,19)/b17-10+
InChIKeyGTTDPYQVDXAJDA-LICLKQGHSA-N
MW340.22 g/mol
LogP2.47
Rot. Bonds6

About 2-bromo-N-[2-oxo-2-[(2E)-2-pentan-2-ylidenehydrazinyl]ethyl]benzamide

2-bromo-N-[2-oxo-2-[(2E)-2-pentan-2-ylidenehydrazinyl]ethyl]benzamide (PubChem CID 171980714) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is 2-bromo-N-[2-oxo-2-[(2E)-2-pentan-2-ylidenehydrazinyl]ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-oxo-2-[(2E)-2-pentan-2-ylidenehydrazinyl]ethyl]benzamide
PubChem CID171980714
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC Name2-bromo-N-[2-oxo-2-[(2E)-2-pentan-2-ylidenehydrazinyl]ethyl]benzamide
SMILESCCC/C(C)=N/NC(=O)CNC(=O)c1ccccc1Br
InChIInChI=1S/C14H18BrN3O2/c1-3-6-10(2)17-18-13(19)9-16-14(20)11-7-4-5-8-12(11)15/h4-5,7-8H,3,6,9H2,1-2H3,(H,16,20)(H,18,19)/b17-10+
InChIKeyGTTDPYQVDXAJDA-LICLKQGHSA-N
XLogP2.47
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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(4E)-4-[[2-[(2-bromobenzoyl)amino]acetyl]hydrazinylidene]-4-phenylbutanoic acid
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2-bromo-N-[2-(methylamino)-2-oxoethyl]benzamide
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2-bromo-N-[2-(butanoylamino)ethyl]benzamide
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2-bromo-N-[2-[2-[(Z)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]benzamide
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N-(pentan-2-ylideneamino)-2-phenylacetamide
CID 4057395
N-[2-[(2E)-2-butan-2-ylidenehydrazinyl]-2-oxoethyl]benzamide
CID 9153067
3-[[2-[(2-bromobenzoyl)amino]acetyl]amino]butanoic acid
CID 43360744
2-bromo-N-(1-phenylpropan-2-ylideneamino)benzamide
CID 4307399
2-bromo-N-[2-[2-[(4-hydroxy-3,5-dimethylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 4216043
2-bromo-N-[2-[2-[(5-bromo-2,4-dihydroxy-3,6-dimethylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3379679

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-oxo-2-[(2E)-2-pentan-2-ylidenehydrazinyl]ethyl]benzamide?
The IUPAC name of 2-bromo-N-[2-oxo-2-[(2E)-2-pentan-2-ylidenehydrazinyl]ethyl]benzamide (CID 171980714) is 2-bromo-N-[2-oxo-2-[(2E)-2-pentan-2-ylidenehydrazinyl]ethyl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-oxo-2-[(2E)-2-pentan-2-ylidenehydrazinyl]ethyl]benzamide?
The canonical SMILES for 2-bromo-N-[2-oxo-2-[(2E)-2-pentan-2-ylidenehydrazinyl]ethyl]benzamide is CCC/C(C)=N/NC(=O)CNC(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[2-oxo-2-[(2E)-2-pentan-2-ylidenehydrazinyl]ethyl]benzamide?
The InChIKey is GTTDPYQVDXAJDA-LICLKQGHSA-N. The full InChI is InChI=1S/C14H18BrN3O2/c1-3-6-10(2)17-18-13(19)9-16-14(20)11-7-4-5-8-12(11)15/h4-5,7-8H,3,6,9H2,1-2H3,(H,16,20)(H,18,19)/b17-10+.
What are the key properties of 2-bromo-N-[2-oxo-2-[(2E)-2-pentan-2-ylidenehydrazinyl]ethyl]benzamide?
2-bromo-N-[2-oxo-2-[(2E)-2-pentan-2-ylidenehydrazinyl]ethyl]benzamide has a molecular weight of 340.22 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-oxo-2-[(2E)-2-pentan-2-ylidenehydrazinyl]ethyl]benzamide is sourced from PubChem (CID 171980714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).