1-chloro-1-methyl-3-phenylurea

C8H9ClN2O — CID 173170547

IUPAC1-chloro-1-methyl-3-phenylurea
SMILESCN(Cl)C(=O)Nc1ccccc1
InChIInChI=1S/C8H9ClN2O/c1-11(9)8(12)10-7-5-3-2-4-6-7/h2-6H,1H3,(H,10,12)
InChIKeyVKDMSTBBRAFFJT-UHFFFAOYSA-N
MW184.63 g/mol
LogP2.30
Rot. Bonds1

About 1-chloro-1-methyl-3-phenylurea

1-chloro-1-methyl-3-phenylurea (PubChem CID 173170547) has the molecular formula C8H9ClN2O and a molecular weight of 184.63 g/mol. Its IUPAC name is 1-chloro-1-methyl-3-phenylurea.

Molecular Properties

Compound Name1-chloro-1-methyl-3-phenylurea
PubChem CID173170547
Molecular FormulaC8H9ClN2O
Molecular Weight184.63 g/mol
Exact Mass184.04
IUPAC Name1-chloro-1-methyl-3-phenylurea
SMILESCN(Cl)C(=O)Nc1ccccc1
InChIInChI=1S/C8H9ClN2O/c1-11(9)8(12)10-7-5-3-2-4-6-7/h2-6H,1H3,(H,10,12)
InChIKeyVKDMSTBBRAFFJT-UHFFFAOYSA-N
XLogP2.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(phenylcarbamoyl)carbamate
CID 22769928
1,1-bis(methylamino)-3-phenylurea
CID 54267679
(2S)-2-[methyl(phenylcarbamoyl)amino]propanoic acid
CID 71355606
1-(ethylcarbamoyl)-1-methyl-3-phenylurea
CID 12876426
N'-methyl-N-phenyl-N'-(phenylcarbamoyl)propanediamide
CID 12864691
ethane;N-phenylcarbamoyl chloride
CID 91362970
3-(4-aminophenyl)-1-methyl-1-phenylurea
CID 43468906
1-[benzyl(methyl)amino]-1-methyl-3-phenylurea
CID 70294389
1-amino-3-phenyl-1-propan-2-ylurea
CID 174763557
cobalt;N-phenylacetamide
CID 158689050
1,1-dimethyl-3-(phenylcarbamoyl)-3-propylurea
CID 12876113
1-(N-carbamoylanilino)-1-methyl-3-phenylurea
CID 57010745

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-methyl-3-phenylurea?
The IUPAC name of 1-chloro-1-methyl-3-phenylurea (CID 173170547) is 1-chloro-1-methyl-3-phenylurea.
What is the SMILES notation for 1-chloro-1-methyl-3-phenylurea?
The canonical SMILES for 1-chloro-1-methyl-3-phenylurea is CN(Cl)C(=O)Nc1ccccc1.
What is the InChIKey of 1-chloro-1-methyl-3-phenylurea?
The InChIKey is VKDMSTBBRAFFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O/c1-11(9)8(12)10-7-5-3-2-4-6-7/h2-6H,1H3,(H,10,12).
What are the key properties of 1-chloro-1-methyl-3-phenylurea?
1-chloro-1-methyl-3-phenylurea has a molecular weight of 184.63 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-methyl-3-phenylurea is sourced from PubChem (CID 173170547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).