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

C9H10ClN3O2 — CID 107100350

IUPAC[(3-chloro-2-methylbenzoyl)amino]urea
SMILESCc1c(Cl)cccc1C(=O)NNC(N)=O
InChIInChI=1S/C9H10ClN3O2/c1-5-6(3-2-4-7(5)10)8(14)12-13-9(11)15/h2-4H,1H3,(H,12,14)(H3,11,13,15)
InChIKeyWDBFGXOYXXQBQD-UHFFFAOYSA-N
MW227.65 g/mol
LogP0.96
Rot. Bonds1

About [(3-chloro-2-methylbenzoyl)amino]urea

[(3-chloro-2-methylbenzoyl)amino]urea (PubChem CID 107100350) has the molecular formula C9H10ClN3O2 and a molecular weight of 227.65 g/mol. Its IUPAC name is [(3-chloro-2-methylbenzoyl)amino]urea.

Molecular Properties

Compound Name[(3-chloro-2-methylbenzoyl)amino]urea
PubChem CID107100350
Molecular FormulaC9H10ClN3O2
Molecular Weight227.65 g/mol
Exact Mass227.05
IUPAC Name[(3-chloro-2-methylbenzoyl)amino]urea
SMILESCc1c(Cl)cccc1C(=O)NNC(N)=O
InChIInChI=1S/C9H10ClN3O2/c1-5-6(3-2-4-7(5)10)8(14)12-13-9(11)15/h2-4H,1H3,(H,12,14)(H3,11,13,15)
InChIKeyWDBFGXOYXXQBQD-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

3-chloro-N-methoxy-2-methylbenzamide
CID 107097630
3-chloro-N-cyano-2-methylbenzamide
CID 107097637
(2S)-2-[(3-chloro-2-methylbenzoyl)amino]propanoic acid
CID 107095878
N-(3-aminophenyl)-3-chloro-2-methylbenzamide
CID 110484087
N-(2-amino-4,5-dimethylphenyl)-3-chloro-2-methylbenzamide
CID 107095769
N-[(4-aminophenyl)methyl]-3-chloro-2-methylbenzamide
CID 110484084
3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-2-methylbenzamide
CID 107097794
2,6-dichloro-N'-(2-chlorobenzoyl)benzohydrazide
CID 78774908
N-(2-amino-5-chlorophenyl)-3-chloro-2-methylbenzamide
CID 107095714
[(5-chloro-2-methylbenzoyl)amino]urea
CID 82890358
3-chloro-N-(3-iodopropyl)-2-methylbenzamide
CID 107100281
N-(2-carbamothioyl-3-fluorophenyl)-3-chloro-2-methylbenzamide
CID 107096806

Frequently Asked Questions

What is the IUPAC name of [(3-chloro-2-methylbenzoyl)amino]urea?
The IUPAC name of [(3-chloro-2-methylbenzoyl)amino]urea (CID 107100350) is [(3-chloro-2-methylbenzoyl)amino]urea.
What is the SMILES notation for [(3-chloro-2-methylbenzoyl)amino]urea?
The canonical SMILES for [(3-chloro-2-methylbenzoyl)amino]urea is Cc1c(Cl)cccc1C(=O)NNC(N)=O.
What is the InChIKey of [(3-chloro-2-methylbenzoyl)amino]urea?
The InChIKey is WDBFGXOYXXQBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O2/c1-5-6(3-2-4-7(5)10)8(14)12-13-9(11)15/h2-4H,1H3,(H,12,14)(H3,11,13,15).
What are the key properties of [(3-chloro-2-methylbenzoyl)amino]urea?
[(3-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 [(3-chloro-2-methylbenzoyl)amino]urea is sourced from PubChem (CID 107100350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).