1-(2-chloro-4,6-dimethylphenyl)-3-(phenoxymethyl)urea

C16H17ClN2O2 — CID 108889015

IUPAC1-(2-chloro-4,6-dimethylphenyl)-3-(phenoxymethyl)urea
SMILESCc1cc(C)c(NC(=O)NCOc2ccccc2)c(Cl)c1
InChIInChI=1S/C16H17ClN2O2/c1-11-8-12(2)15(14(17)9-11)19-16(20)18-10-21-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H2,18,19,20)
InChIKeyLNPCTRFZWHLCRM-UHFFFAOYSA-N
MW304.78 g/mol
LogP4.11
Rot. Bonds4

About 1-(2-chloro-4,6-dimethylphenyl)-3-(phenoxymethyl)urea

1-(2-chloro-4,6-dimethylphenyl)-3-(phenoxymethyl)urea (PubChem CID 108889015) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 1-(2-chloro-4,6-dimethylphenyl)-3-(phenoxymethyl)urea.

Molecular Properties

Compound Name1-(2-chloro-4,6-dimethylphenyl)-3-(phenoxymethyl)urea
PubChem CID108889015
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name1-(2-chloro-4,6-dimethylphenyl)-3-(phenoxymethyl)urea
SMILESCc1cc(C)c(NC(=O)NCOc2ccccc2)c(Cl)c1
InChIInChI=1S/C16H17ClN2O2/c1-11-8-12(2)15(14(17)9-11)19-16(20)18-10-21-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H2,18,19,20)
InChIKeyLNPCTRFZWHLCRM-UHFFFAOYSA-N
XLogP4.11
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloro-4,6-dimethylphenyl)-3-(3-phenoxypropyl)urea
CID 108883243
1-[(4-methylphenoxy)methyl]-3-(2,4,6-trimethylphenyl)urea
CID 108892885
N-(2-chloro-4,6-dimethylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 112998277
N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-3-phenoxypropanamide
CID 112998279
1-(3-chloro-4-methylphenyl)-3-(phenoxymethyl)urea
CID 108888748
1-(2-chloro-4,6-dimethylphenyl)-3-[3-(4-methylphenoxy)propyl]urea
CID 108881452
1-[2-(3-bromophenoxy)ethyl]-3-(2-chloro-4,6-dimethylphenyl)urea
CID 112971224
1-(2-chloro-4,6-dimethylphenyl)-3-phenylurea
CID 731680
1-(2-chloro-4,6-dimethylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883961
1-(2-chloro-4,6-dimethylphenyl)-3-[(3-methoxyphenyl)methyl]urea
CID 108898402
1-(2-chloro-4,6-dimethylphenyl)-3-[2-(2-chlorophenyl)ethyl]urea
CID 108900379
methyl 2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]amino]-2-methyl-3-phenoxypropanoate
CID 56542013

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,6-dimethylphenyl)-3-(phenoxymethyl)urea?
The IUPAC name of 1-(2-chloro-4,6-dimethylphenyl)-3-(phenoxymethyl)urea (CID 108889015) is 1-(2-chloro-4,6-dimethylphenyl)-3-(phenoxymethyl)urea.
What is the SMILES notation for 1-(2-chloro-4,6-dimethylphenyl)-3-(phenoxymethyl)urea?
The canonical SMILES for 1-(2-chloro-4,6-dimethylphenyl)-3-(phenoxymethyl)urea is Cc1cc(C)c(NC(=O)NCOc2ccccc2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4,6-dimethylphenyl)-3-(phenoxymethyl)urea?
The InChIKey is LNPCTRFZWHLCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-11-8-12(2)15(14(17)9-11)19-16(20)18-10-21-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-(2-chloro-4,6-dimethylphenyl)-3-(phenoxymethyl)urea?
1-(2-chloro-4,6-dimethylphenyl)-3-(phenoxymethyl)urea has a molecular weight of 304.78 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,6-dimethylphenyl)-3-(phenoxymethyl)urea is sourced from PubChem (CID 108889015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).