1-(2-chloro-4,6-dimethylphenyl)-3-[3-(4-methylphenoxy)propyl]urea

C19H23ClN2O2 — CID 108881452

IUPAC1-(2-chloro-4,6-dimethylphenyl)-3-[3-(4-methylphenoxy)propyl]urea
SMILESCc1ccc(OCCCNC(=O)Nc2c(C)cc(C)cc2Cl)cc1
InChIInChI=1S/C19H23ClN2O2/c1-13-5-7-16(8-6-13)24-10-4-9-21-19(23)22-18-15(3)11-14(2)12-17(18)20/h5-8,11-12H,4,9-10H2,1-3H3,(H2,21,22,23)
InChIKeyKSGVHBUQWWHUHA-UHFFFAOYSA-N
MW346.86 g/mol
LogP4.86
Rot. Bonds6

About 1-(2-chloro-4,6-dimethylphenyl)-3-[3-(4-methylphenoxy)propyl]urea

1-(2-chloro-4,6-dimethylphenyl)-3-[3-(4-methylphenoxy)propyl]urea (PubChem CID 108881452) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 1-(2-chloro-4,6-dimethylphenyl)-3-[3-(4-methylphenoxy)propyl]urea.

Molecular Properties

Compound Name1-(2-chloro-4,6-dimethylphenyl)-3-[3-(4-methylphenoxy)propyl]urea
PubChem CID108881452
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name1-(2-chloro-4,6-dimethylphenyl)-3-[3-(4-methylphenoxy)propyl]urea
SMILESCc1ccc(OCCCNC(=O)Nc2c(C)cc(C)cc2Cl)cc1
InChIInChI=1S/C19H23ClN2O2/c1-13-5-7-16(8-6-13)24-10-4-9-21-19(23)22-18-15(3)11-14(2)12-17(18)20/h5-8,11-12H,4,9-10H2,1-3H3,(H2,21,22,23)
InChIKeyKSGVHBUQWWHUHA-UHFFFAOYSA-N
XLogP4.86
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloro-4,6-dimethylphenyl)-3-(3-phenoxypropyl)urea
CID 108883243
1-(2-chloro-4,6-dimethylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883961
1-[2-(3-bromophenoxy)ethyl]-3-(2-chloro-4,6-dimethylphenyl)urea
CID 112971224
1-[2-(1,3-benzodioxol-5-yloxy)ethyl]-3-(2-chloro-4,6-dimethylphenyl)urea
CID 112975181
1-(2-chloro-4,6-dimethylphenyl)-3-[2-(4-methylphenyl)ethyl]urea
CID 108891207
1-[3-(2-chlorophenoxy)propyl]-3-(2,4,6-trimethylphenyl)urea
CID 108883413
1-(2-chlorophenyl)-3-[3-(4-methylphenoxy)propyl]urea
CID 108881220
1-(2-chloro-4,6-dimethylphenyl)-3-(phenoxymethyl)urea
CID 108889015
1-[(4-methylphenoxy)methyl]-3-(2,4,6-trimethylphenyl)urea
CID 108892885
1-(2,4-dimethylphenyl)-3-[2-(4-methylphenoxy)ethyl]urea
CID 112970080
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 9139489
1-[2-(4-chlorophenoxy)ethyl]-3-(2,4-dimethylphenyl)urea
CID 52590780

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,6-dimethylphenyl)-3-[3-(4-methylphenoxy)propyl]urea?
The IUPAC name of 1-(2-chloro-4,6-dimethylphenyl)-3-[3-(4-methylphenoxy)propyl]urea (CID 108881452) is 1-(2-chloro-4,6-dimethylphenyl)-3-[3-(4-methylphenoxy)propyl]urea.
What is the SMILES notation for 1-(2-chloro-4,6-dimethylphenyl)-3-[3-(4-methylphenoxy)propyl]urea?
The canonical SMILES for 1-(2-chloro-4,6-dimethylphenyl)-3-[3-(4-methylphenoxy)propyl]urea is Cc1ccc(OCCCNC(=O)Nc2c(C)cc(C)cc2Cl)cc1.
What is the InChIKey of 1-(2-chloro-4,6-dimethylphenyl)-3-[3-(4-methylphenoxy)propyl]urea?
The InChIKey is KSGVHBUQWWHUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-13-5-7-16(8-6-13)24-10-4-9-21-19(23)22-18-15(3)11-14(2)12-17(18)20/h5-8,11-12H,4,9-10H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-(2-chloro-4,6-dimethylphenyl)-3-[3-(4-methylphenoxy)propyl]urea?
1-(2-chloro-4,6-dimethylphenyl)-3-[3-(4-methylphenoxy)propyl]urea has a molecular weight of 346.86 g/mol, XLogP of 4.86, 6 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-[3-(4-methylphenoxy)propyl]urea is sourced from PubChem (CID 108881452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).