3-(5-chloro-2-methylphenyl)-1-(2-methoxyethyl)-1-methylurea

C12H17ClN2O2 — CID 47324738

IUPAC3-(5-chloro-2-methylphenyl)-1-(2-methoxyethyl)-1-methylurea
SMILESCOCCN(C)C(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C12H17ClN2O2/c1-9-4-5-10(13)8-11(9)14-12(16)15(2)6-7-17-3/h4-5,8H,6-7H2,1-3H3,(H,14,16)
InChIKeyOQRZSLGDVAEQJP-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.76
Rot. Bonds4

About 3-(5-chloro-2-methylphenyl)-1-(2-methoxyethyl)-1-methylurea

3-(5-chloro-2-methylphenyl)-1-(2-methoxyethyl)-1-methylurea (PubChem CID 47324738) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 3-(5-chloro-2-methylphenyl)-1-(2-methoxyethyl)-1-methylurea.

Molecular Properties

Compound Name3-(5-chloro-2-methylphenyl)-1-(2-methoxyethyl)-1-methylurea
PubChem CID47324738
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name3-(5-chloro-2-methylphenyl)-1-(2-methoxyethyl)-1-methylurea
SMILESCOCCN(C)C(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C12H17ClN2O2/c1-9-4-5-10(13)8-11(9)14-12(16)15(2)6-7-17-3/h4-5,8H,6-7H2,1-3H3,(H,14,16)
InChIKeyOQRZSLGDVAEQJP-UHFFFAOYSA-N
XLogP2.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-(2-methoxyethoxy)acetamide
CID 103606661
1-(3-bromopropyl)-3-(2,5-dichlorophenyl)-1-methylurea
CID 106441565
2-chloro-6-[[2-methoxyethyl(methyl)carbamoyl]amino]benzoic acid
CID 63723134
N-(5-chloro-2-methylphenyl)-3-(3-methoxypropylamino)propanamide
CID 109015588
3-(5-chloro-2-fluorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea
CID 111431211
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
methyl 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylamino]acetate
CID 60660360
3-[[2-ethoxyethyl(methyl)carbamoyl]amino]-4-methylbenzoic acid
CID 81058106
3-(2,5-dichlorophenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea
CID 54979402
4-chloro-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]benzoic acid
CID 61447781
3-(5-chloro-2-methylphenyl)-1-methyl-1-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]urea
CID 138047458
methyl 2-[(2,5-dichlorophenyl)carbamoyl-methylamino]acetate
CID 43624007

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methylphenyl)-1-(2-methoxyethyl)-1-methylurea?
The IUPAC name of 3-(5-chloro-2-methylphenyl)-1-(2-methoxyethyl)-1-methylurea (CID 47324738) is 3-(5-chloro-2-methylphenyl)-1-(2-methoxyethyl)-1-methylurea.
What is the SMILES notation for 3-(5-chloro-2-methylphenyl)-1-(2-methoxyethyl)-1-methylurea?
The canonical SMILES for 3-(5-chloro-2-methylphenyl)-1-(2-methoxyethyl)-1-methylurea is COCCN(C)C(=O)Nc1cc(Cl)ccc1C.
What is the InChIKey of 3-(5-chloro-2-methylphenyl)-1-(2-methoxyethyl)-1-methylurea?
The InChIKey is OQRZSLGDVAEQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-9-4-5-10(13)8-11(9)14-12(16)15(2)6-7-17-3/h4-5,8H,6-7H2,1-3H3,(H,14,16).
What are the key properties of 3-(5-chloro-2-methylphenyl)-1-(2-methoxyethyl)-1-methylurea?
3-(5-chloro-2-methylphenyl)-1-(2-methoxyethyl)-1-methylurea has a molecular weight of 256.73 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methylphenyl)-1-(2-methoxyethyl)-1-methylurea is sourced from PubChem (CID 47324738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).