1-(3-chloro-4-methylphenyl)-3-(phenoxymethyl)urea

C15H15ClN2O2 — CID 108888748

IUPAC1-(3-chloro-4-methylphenyl)-3-(phenoxymethyl)urea
SMILESCc1ccc(NC(=O)NCOc2ccccc2)cc1Cl
InChIInChI=1S/C15H15ClN2O2/c1-11-7-8-12(9-14(11)16)18-15(19)17-10-20-13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H2,17,18,19)
InChIKeyUCKAXJXWLINVHD-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.81
Rot. Bonds4

About 1-(3-chloro-4-methylphenyl)-3-(phenoxymethyl)urea

1-(3-chloro-4-methylphenyl)-3-(phenoxymethyl)urea (PubChem CID 108888748) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-3-(phenoxymethyl)urea.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-3-(phenoxymethyl)urea
PubChem CID108888748
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name1-(3-chloro-4-methylphenyl)-3-(phenoxymethyl)urea
SMILESCc1ccc(NC(=O)NCOc2ccccc2)cc1Cl
InChIInChI=1S/C15H15ClN2O2/c1-11-7-8-12(9-14(11)16)18-15(19)17-10-20-13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H2,17,18,19)
InChIKeyUCKAXJXWLINVHD-UHFFFAOYSA-N
XLogP3.81
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.81
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-(3-chloro-4-methylphenyl)-3-[(4-ethoxyphenoxy)methyl]urea
CID 108890615
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(phenoxymethyl)urea
CID 108888847
1-(2-chloro-4,6-dimethylphenyl)-3-(phenoxymethyl)urea
CID 108889015
1-(4-chloro-3-nitrophenyl)-3-(phenoxymethyl)urea
CID 108888829
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-(3-chloro-4-fluorophenyl)urea
CID 108878088
1-(4-acetylphenyl)-3-(phenoxymethyl)urea
CID 108888840
1-(3-chloro-4-methylphenyl)-3-(4-phenylphenyl)urea
CID 108866984
1-(3,4-dichlorophenyl)-3-[(2,3-dimethylphenoxy)methyl]urea
CID 108878230
1-(3-chloro-4-methylphenyl)-3-[2-(2-ethylphenoxy)ethyl]urea
CID 112971745
1-(3-chloro-4-methylphenyl)-3-[2-(2-ethoxyphenyl)ethyl]urea
CID 5221281
1-(3-chloro-4-methylphenyl)-3-(3-oxobutyl)urea
CID 108894961
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-phenoxypropanoate
CID 7841565

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-3-(phenoxymethyl)urea?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-3-(phenoxymethyl)urea (CID 108888748) is 1-(3-chloro-4-methylphenyl)-3-(phenoxymethyl)urea.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-3-(phenoxymethyl)urea?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-3-(phenoxymethyl)urea is Cc1ccc(NC(=O)NCOc2ccccc2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-3-(phenoxymethyl)urea?
The InChIKey is UCKAXJXWLINVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-11-7-8-12(9-14(11)16)18-15(19)17-10-20-13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H2,17,18,19).
What are the key properties of 1-(3-chloro-4-methylphenyl)-3-(phenoxymethyl)urea?
1-(3-chloro-4-methylphenyl)-3-(phenoxymethyl)urea has a molecular weight of 290.75 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-3-(phenoxymethyl)urea is sourced from PubChem (CID 108888748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).