2-bromo-N-[2-[2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide

C14H12BrN5O4 — CID 4265295

IUPAC2-bromo-N-[2-[2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1Br)NN=Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C14H12BrN5O4/c15-10-4-2-1-3-9(10)13(23)16-7-12(22)20-17-6-8-5-11(21)19-14(24)18-8/h1-6H,7H2,(H,16,23)(H,20,22)(H2,18,19,21,24)
InChIKeyVFPRNASDQPUKDJ-UHFFFAOYSA-N
MW394.19 g/mol
LogP-0.29
Rot. Bonds5

About 2-bromo-N-[2-[2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide

2-bromo-N-[2-[2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide (PubChem CID 4265295) has the molecular formula C14H12BrN5O4 and a molecular weight of 394.19 g/mol. Its IUPAC name is 2-bromo-N-[2-[2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-[2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
PubChem CID4265295
Molecular FormulaC14H12BrN5O4
Molecular Weight394.19 g/mol
Exact Mass393.01
IUPAC Name2-bromo-N-[2-[2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1Br)NN=Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C14H12BrN5O4/c15-10-4-2-1-3-9(10)13(23)16-7-12(22)20-17-6-8-5-11(21)19-14(24)18-8/h1-6H,7H2,(H,16,23)(H,20,22)(H2,18,19,21,24)
InChIKeyVFPRNASDQPUKDJ-UHFFFAOYSA-N
XLogP-0.29
TPSA136.28 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.19
LogP ≤ 5-0.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

2-bromo-N-[2-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 136720747
2-bromo-N-[2-[2-[(4-hydroxy-3,5-dimethylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 4216043
2-bromo-N-[2-[(2E)-2-(furan-3-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide
CID 46502016
2-bromo-N-[2-oxo-2-[2-[(2,4,6-trinitrophenyl)methylidene]hydrazinyl]ethyl]benzamide
CID 4914226
2-bromo-N-[2-[2-[(Z)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 129441190
2-bromo-N-[2-[2-[(5-bromo-2,4-dihydroxy-3,6-dimethylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3379679
2-bromo-N-[2-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 2131603
[2,4-dibromo-6-[(Z)-[[2-[(2-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate
CID 6242414
[4-[[[2-[(2-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] acetate
CID 3503807
2-bromo-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 18106416
[4-[(Z)-[[2-[(2-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] benzoate
CID 6073668
2-bromo-N-[2-[(2E)-2-[[5-(3-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 56697492

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-[2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
The IUPAC name of 2-bromo-N-[2-[2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide (CID 4265295) is 2-bromo-N-[2-[2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-[2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
The canonical SMILES for 2-bromo-N-[2-[2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccccc1Br)NN=Cc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 2-bromo-N-[2-[2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
The InChIKey is VFPRNASDQPUKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN5O4/c15-10-4-2-1-3-9(10)13(23)16-7-12(22)20-17-6-8-5-11(21)19-14(24)18-8/h1-6H,7H2,(H,16,23)(H,20,22)(H2,18,19,21,24).
What are the key properties of 2-bromo-N-[2-[2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
2-bromo-N-[2-[2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide has a molecular weight of 394.19 g/mol, XLogP of -0.29, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-[2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 4265295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).