3-bromo-N-[2-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-2-oxoethyl]benzamide

C15H16BrN5O2 — CID 26121561

IUPAC3-bromo-N-[2-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-2-oxoethyl]benzamide
SMILESCc1cc(C)nc(NNC(=O)CNC(=O)c2cccc(Br)c2)n1
InChIInChI=1S/C15H16BrN5O2/c1-9-6-10(2)19-15(18-9)21-20-13(22)8-17-14(23)11-4-3-5-12(16)7-11/h3-7H,8H2,1-2H3,(H,17,23)(H,20,22)(H,18,19,21)
InChIKeyYODCONZNWOQSOU-UHFFFAOYSA-N
MW378.23 g/mol
LogP1.73
Rot. Bonds5

About 3-bromo-N-[2-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-2-oxoethyl]benzamide

3-bromo-N-[2-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-2-oxoethyl]benzamide (PubChem CID 26121561) has the molecular formula C15H16BrN5O2 and a molecular weight of 378.23 g/mol. Its IUPAC name is 3-bromo-N-[2-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-2-oxoethyl]benzamide
PubChem CID26121561
Molecular FormulaC15H16BrN5O2
Molecular Weight378.23 g/mol
Exact Mass377.05
IUPAC Name3-bromo-N-[2-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-2-oxoethyl]benzamide
SMILESCc1cc(C)nc(NNC(=O)CNC(=O)c2cccc(Br)c2)n1
InChIInChI=1S/C15H16BrN5O2/c1-9-6-10(2)19-15(18-9)21-20-13(22)8-17-14(23)11-4-3-5-12(16)7-11/h3-7H,8H2,1-2H3,(H,17,23)(H,20,22)(H,18,19,21)
InChIKeyYODCONZNWOQSOU-UHFFFAOYSA-N
XLogP1.73
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.23
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-[2-(2,6-diethylanilino)-2-oxoethyl]benzamide
CID 112997289
3-bromo-N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 41387812
3-bromo-N-[2-(butan-2-ylamino)-2-oxoethyl]benzamide
CID 46521709
3-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]benzamide
CID 108765874
3-bromo-N-[2-(2-ethylbutylamino)-2-oxoethyl]benzamide
CID 115613542
3-bromo-N-[2-(2,4-dimethylanilino)-2-oxoethyl]benzamide
CID 26538678
3-bromo-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
CID 51162907
3-bromo-N-(4-chloro-6-methylpyrimidin-2-yl)benzamide
CID 114052917
3-bromo-N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]benzamide
CID 104981787
3-bromo-N-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]benzamide;hydrochloride
CID 119505849
3-bromo-N-[2-[[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 55958712
3-bromo-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 18109524

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-2-oxoethyl]benzamide?
The IUPAC name of 3-bromo-N-[2-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-2-oxoethyl]benzamide (CID 26121561) is 3-bromo-N-[2-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-bromo-N-[2-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-2-oxoethyl]benzamide?
The canonical SMILES for 3-bromo-N-[2-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-2-oxoethyl]benzamide is Cc1cc(C)nc(NNC(=O)CNC(=O)c2cccc(Br)c2)n1.
What is the InChIKey of 3-bromo-N-[2-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-2-oxoethyl]benzamide?
The InChIKey is YODCONZNWOQSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN5O2/c1-9-6-10(2)19-15(18-9)21-20-13(22)8-17-14(23)11-4-3-5-12(16)7-11/h3-7H,8H2,1-2H3,(H,17,23)(H,20,22)(H,18,19,21).
What are the key properties of 3-bromo-N-[2-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-2-oxoethyl]benzamide?
3-bromo-N-[2-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-2-oxoethyl]benzamide has a molecular weight of 378.23 g/mol, XLogP of 1.73, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 26121561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).