1-(5-chloro-2-methoxyphenyl)-3-(3,4-diethoxyphenyl)urea

C18H21ClN2O4 — CID 108875508

IUPAC1-(5-chloro-2-methoxyphenyl)-3-(3,4-diethoxyphenyl)urea
SMILESCCOc1ccc(NC(=O)Nc2cc(Cl)ccc2OC)cc1OCC
InChIInChI=1S/C18H21ClN2O4/c1-4-24-16-9-7-13(11-17(16)25-5-2)20-18(22)21-14-10-12(19)6-8-15(14)23-3/h6-11H,4-5H2,1-3H3,(H2,20,21,22)
InChIKeyALCJGFXKMSTQNQ-UHFFFAOYSA-N
MW364.83 g/mol
LogP4.79
Rot. Bonds7

About 1-(5-chloro-2-methoxyphenyl)-3-(3,4-diethoxyphenyl)urea

1-(5-chloro-2-methoxyphenyl)-3-(3,4-diethoxyphenyl)urea (PubChem CID 108875508) has the molecular formula C18H21ClN2O4 and a molecular weight of 364.83 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-(3,4-diethoxyphenyl)urea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-(3,4-diethoxyphenyl)urea
PubChem CID108875508
Molecular FormulaC18H21ClN2O4
Molecular Weight364.83 g/mol
Exact Mass364.12
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-(3,4-diethoxyphenyl)urea
SMILESCCOc1ccc(NC(=O)Nc2cc(Cl)ccc2OC)cc1OCC
InChIInChI=1S/C18H21ClN2O4/c1-4-24-16-9-7-13(11-17(16)25-5-2)20-18(22)21-14-10-12(19)6-8-15(14)23-3/h6-11H,4-5H2,1-3H3,(H2,20,21,22)
InChIKeyALCJGFXKMSTQNQ-UHFFFAOYSA-N
XLogP4.79
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-[4-(6-ethoxypyridazin-3-yl)phenyl]urea
CID 43991114
[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 3,4-diethoxybenzoate
CID 8708079
1-[2-(4-chlorophenoxy)ethyl]-3-(3-ethoxy-4-methoxyphenyl)urea
CID 52642986
N'-(5-chloro-2-methoxyphenyl)-N-(3,4-dimethoxyphenyl)oxamide
CID 45000696
5-chloro-N-(4-ethoxy-3-methoxyphenyl)-2-hydroxybenzamide
CID 18128122
1-(5-chloro-2-methylphenyl)-3-(3,4,5-triethoxyphenyl)urea
CID 108869698
1-(5-chloro-2-methoxyphenyl)-3-(4-nitrophenyl)urea
CID 108875489
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(2-ethoxy-4-formylphenoxy)propanamide
CID 8009854
(2S)-2-(4-chlorophenyl)-N-(4-ethoxy-3-methoxyphenyl)-3-methylbutanamide
CID 9100277
1-[4-bromo-3-(trifluoromethyl)phenyl]-3-(5-chloro-2-methoxyphenyl)urea
CID 2810421
N-(5-chloro-2-ethoxyphenyl)-2-methoxypropanamide
CID 112685938
2-chloro-N-(4-ethoxy-3-methoxyphenyl)propanamide
CID 43346919

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(3,4-diethoxyphenyl)urea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(3,4-diethoxyphenyl)urea (CID 108875508) is 1-(5-chloro-2-methoxyphenyl)-3-(3,4-diethoxyphenyl)urea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-(3,4-diethoxyphenyl)urea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-(3,4-diethoxyphenyl)urea is CCOc1ccc(NC(=O)Nc2cc(Cl)ccc2OC)cc1OCC.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-(3,4-diethoxyphenyl)urea?
The InChIKey is ALCJGFXKMSTQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4/c1-4-24-16-9-7-13(11-17(16)25-5-2)20-18(22)21-14-10-12(19)6-8-15(14)23-3/h6-11H,4-5H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-(3,4-diethoxyphenyl)urea?
1-(5-chloro-2-methoxyphenyl)-3-(3,4-diethoxyphenyl)urea has a molecular weight of 364.83 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-(3,4-diethoxyphenyl)urea is sourced from PubChem (CID 108875508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).