1-(3-chloro-4-methoxyphenyl)-3-(3-ethoxy-4-methylphenyl)-1-methylurea

C18H21ClN2O3 — CID 166327912

IUPAC1-(3-chloro-4-methoxyphenyl)-3-(3-ethoxy-4-methylphenyl)-1-methylurea
SMILESCCOc1cc(NC(=O)N(C)c2ccc(OC)c(Cl)c2)ccc1C
InChIInChI=1S/C18H21ClN2O3/c1-5-24-17-10-13(7-6-12(17)2)20-18(22)21(3)14-8-9-16(23-4)15(19)11-14/h6-11H,5H2,1-4H3,(H,20,22)
InChIKeyGNJNREFFNFLSEO-UHFFFAOYSA-N
MW348.83 g/mol
LogP4.72
Rot. Bonds5

About 1-(3-chloro-4-methoxyphenyl)-3-(3-ethoxy-4-methylphenyl)-1-methylurea

1-(3-chloro-4-methoxyphenyl)-3-(3-ethoxy-4-methylphenyl)-1-methylurea (PubChem CID 166327912) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-3-(3-ethoxy-4-methylphenyl)-1-methylurea.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-3-(3-ethoxy-4-methylphenyl)-1-methylurea
PubChem CID166327912
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC Name1-(3-chloro-4-methoxyphenyl)-3-(3-ethoxy-4-methylphenyl)-1-methylurea
SMILESCCOc1cc(NC(=O)N(C)c2ccc(OC)c(Cl)c2)ccc1C
InChIInChI=1S/C18H21ClN2O3/c1-5-24-17-10-13(7-6-12(17)2)20-18(22)21(3)14-8-9-16(23-4)15(19)11-14/h6-11H,5H2,1-4H3,(H,20,22)
InChIKeyGNJNREFFNFLSEO-UHFFFAOYSA-N
XLogP4.72
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-ethoxy-4-methylphenyl)-1-methoxy-1-methylurea
CID 117059873
3-(3-chloro-4-ethoxyphenyl)-1,1-dimethylurea
CID 19834572
N-(3-chloro-4-methylphenyl)-4-ethoxy-3-methoxybenzamide
CID 3894156
N-(3-chloro-4-methoxyphenyl)-2-[4-(diethylamino)anilino]acetamide
CID 109008840
3-(3-chloro-4-methoxyphenyl)-1-ethyl-1-phenylurea
CID 108991522
3-(N-acetyl-3-chloro-4-methoxyanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113128420
1-(3-ethoxy-4-methylphenyl)-3-(2-methoxyethyl)urea
CID 56824215
N-(3-chloro-4-methoxyphenyl)-3-(3,4-dimethylanilino)propanamide
CID 109035530
N-(3-chloro-4-methoxyphenyl)-3-(3-chloro-4-methylanilino)propanamide
CID 109038668
N-(3-chloro-4-methoxyphenyl)-N'-(2-ethoxyphenyl)propanediamide
CID 108955393
N-(3-chloro-4-methoxyphenyl)-3-(2-methylphenoxy)propanamide
CID 2110283
N-(3-chloro-4-methoxyphenyl)-2-(4-ethoxyphenyl)acetamide
CID 26823011

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-3-(3-ethoxy-4-methylphenyl)-1-methylurea?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-3-(3-ethoxy-4-methylphenyl)-1-methylurea (CID 166327912) is 1-(3-chloro-4-methoxyphenyl)-3-(3-ethoxy-4-methylphenyl)-1-methylurea.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-3-(3-ethoxy-4-methylphenyl)-1-methylurea?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-3-(3-ethoxy-4-methylphenyl)-1-methylurea is CCOc1cc(NC(=O)N(C)c2ccc(OC)c(Cl)c2)ccc1C.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-3-(3-ethoxy-4-methylphenyl)-1-methylurea?
The InChIKey is GNJNREFFNFLSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c1-5-24-17-10-13(7-6-12(17)2)20-18(22)21(3)14-8-9-16(23-4)15(19)11-14/h6-11H,5H2,1-4H3,(H,20,22).
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-3-(3-ethoxy-4-methylphenyl)-1-methylurea?
1-(3-chloro-4-methoxyphenyl)-3-(3-ethoxy-4-methylphenyl)-1-methylurea has a molecular weight of 348.83 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-3-(3-ethoxy-4-methylphenyl)-1-methylurea is sourced from PubChem (CID 166327912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).