[(5-chloro-2-methylbenzoyl)amino]urea

C9H10ClN3O2 — CID 82890358

IUPAC[(5-chloro-2-methylbenzoyl)amino]urea
SMILESCc1ccc(Cl)cc1C(=O)NNC(N)=O
InChIInChI=1S/C9H10ClN3O2/c1-5-2-3-6(10)4-7(5)8(14)12-13-9(11)15/h2-4H,1H3,(H,12,14)(H3,11,13,15)
InChIKeyQANSLFVMTFAHOO-UHFFFAOYSA-N
MW227.65 g/mol
LogP0.96
Rot. Bonds1

About [(5-chloro-2-methylbenzoyl)amino]urea

[(5-chloro-2-methylbenzoyl)amino]urea (PubChem CID 82890358) has the molecular formula C9H10ClN3O2 and a molecular weight of 227.65 g/mol. Its IUPAC name is [(5-chloro-2-methylbenzoyl)amino]urea.

Molecular Properties

Compound Name[(5-chloro-2-methylbenzoyl)amino]urea
PubChem CID82890358
Molecular FormulaC9H10ClN3O2
Molecular Weight227.65 g/mol
Exact Mass227.05
IUPAC Name[(5-chloro-2-methylbenzoyl)amino]urea
SMILESCc1ccc(Cl)cc1C(=O)NNC(N)=O
InChIInChI=1S/C9H10ClN3O2/c1-5-2-3-6(10)4-7(5)8(14)12-13-9(11)15/h2-4H,1H3,(H,12,14)(H3,11,13,15)
InChIKeyQANSLFVMTFAHOO-UHFFFAOYSA-N
XLogP0.96
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 50.96
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

5-chloro-N-hydroxy-2-methylbenzamide
CID 82883226
N-(3-aminopropyl)-5-chloro-2-methylbenzamide
CID 82883577
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-5-chloro-2-methylbenzamide
CID 82883904
5-chloro-N-(2-hydroxyethyl)-2-methylbenzamide
CID 115532800
N-(4-aminobutyl)-5-chloro-2-methylbenzamide
CID 82883578
N-(2-amino-5-chlorophenyl)-5-chloro-2-methylbenzamide
CID 82880207
N'-acetyl-2,5-dichlorobenzohydrazide
CID 47099470
N-(2-carbamothioyl-4-fluorophenyl)-5-chloro-2-methylbenzamide
CID 82870456
5-chloro-2-methyl-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide
CID 11199895
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
N'-(2,5-dichlorobenzoyl)-2-methylfuran-3-carbohydrazide
CID 965552
[(3-chloro-2-methylbenzoyl)amino]urea
CID 107100350

Frequently Asked Questions

What is the IUPAC name of [(5-chloro-2-methylbenzoyl)amino]urea?
The IUPAC name of [(5-chloro-2-methylbenzoyl)amino]urea (CID 82890358) is [(5-chloro-2-methylbenzoyl)amino]urea.
What is the SMILES notation for [(5-chloro-2-methylbenzoyl)amino]urea?
The canonical SMILES for [(5-chloro-2-methylbenzoyl)amino]urea is Cc1ccc(Cl)cc1C(=O)NNC(N)=O.
What is the InChIKey of [(5-chloro-2-methylbenzoyl)amino]urea?
The InChIKey is QANSLFVMTFAHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O2/c1-5-2-3-6(10)4-7(5)8(14)12-13-9(11)15/h2-4H,1H3,(H,12,14)(H3,11,13,15).
What are the key properties of [(5-chloro-2-methylbenzoyl)amino]urea?
[(5-chloro-2-methylbenzoyl)amino]urea has a molecular weight of 227.65 g/mol, XLogP of 0.96, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-chloro-2-methylbenzoyl)amino]urea is sourced from PubChem (CID 82890358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).