1-[(2-bromobenzoyl)amino]-3-methylurea

C9H10BrN3O2 — CID 47140225

IUPAC1-[(2-bromobenzoyl)amino]-3-methylurea
SMILESCNC(=O)NNC(=O)c1ccccc1Br
InChIInChI=1S/C9H10BrN3O2/c1-11-9(15)13-12-8(14)6-4-2-3-5-7(6)10/h2-5H,1H3,(H,12,14)(H2,11,13,15)
InChIKeyNLLIHKZRPUWMKN-UHFFFAOYSA-N
MW272.10 g/mol
LogP1.02
Rot. Bonds1

About 1-[(2-bromobenzoyl)amino]-3-methylurea

1-[(2-bromobenzoyl)amino]-3-methylurea (PubChem CID 47140225) has the molecular formula C9H10BrN3O2 and a molecular weight of 272.10 g/mol. Its IUPAC name is 1-[(2-bromobenzoyl)amino]-3-methylurea.

Molecular Properties

Compound Name1-[(2-bromobenzoyl)amino]-3-methylurea
PubChem CID47140225
Molecular FormulaC9H10BrN3O2
Molecular Weight272.10 g/mol
Exact Mass271.00
IUPAC Name1-[(2-bromobenzoyl)amino]-3-methylurea
SMILESCNC(=O)NNC(=O)c1ccccc1Br
InChIInChI=1S/C9H10BrN3O2/c1-11-9(15)13-12-8(14)6-4-2-3-5-7(6)10/h2-5H,1H3,(H,12,14)(H2,11,13,15)
InChIKeyNLLIHKZRPUWMKN-UHFFFAOYSA-N
XLogP1.02
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-bromobenzoyl)-2-methylsulfanylbenzohydrazide
CID 4807983
2-bromo-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 18106416
N'-(2-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 2715708
N'-(2-bromobenzoyl)pyridine-2-carbohydrazide
CID 26533733
N'-(2-bromobenzoyl)-2,5-dichlorobenzohydrazide
CID 7536155
[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-(methylamino)benzoate
CID 7670728
N'-(2-bromobenzoyl)-3-methoxynaphthalene-2-carbohydrazide
CID 2712122
N'-(2-bromobenzoyl)-2,4-dimethyl-1,3-thiazole-5-carbohydrazide
CID 47097645
N'-(2-bromobenzoyl)-2,5-dichlorothiophene-3-carbohydrazide
CID 27672192
N'-(2-bromobenzoyl)-2-(2,5-dimethylbenzoyl)benzohydrazide
CID 2439814
N'-(2-bromobenzoyl)-3-iodo-4-methylbenzohydrazide
CID 4924985
N'-(2-bromobenzoyl)-2,5-dimethylpyrazole-3-carbohydrazide
CID 87023377

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromobenzoyl)amino]-3-methylurea?
The IUPAC name of 1-[(2-bromobenzoyl)amino]-3-methylurea (CID 47140225) is 1-[(2-bromobenzoyl)amino]-3-methylurea.
What is the SMILES notation for 1-[(2-bromobenzoyl)amino]-3-methylurea?
The canonical SMILES for 1-[(2-bromobenzoyl)amino]-3-methylurea is CNC(=O)NNC(=O)c1ccccc1Br.
What is the InChIKey of 1-[(2-bromobenzoyl)amino]-3-methylurea?
The InChIKey is NLLIHKZRPUWMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O2/c1-11-9(15)13-12-8(14)6-4-2-3-5-7(6)10/h2-5H,1H3,(H,12,14)(H2,11,13,15).
What are the key properties of 1-[(2-bromobenzoyl)amino]-3-methylurea?
1-[(2-bromobenzoyl)amino]-3-methylurea has a molecular weight of 272.10 g/mol, XLogP of 1.02, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromobenzoyl)amino]-3-methylurea is sourced from PubChem (CID 47140225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).