1-(5-chloro-2-methylphenyl)-3-(3,4,5-triethoxyphenyl)urea

C20H25ClN2O4 — CID 108869698

IUPAC1-(5-chloro-2-methylphenyl)-3-(3,4,5-triethoxyphenyl)urea
SMILESCCOc1cc(NC(=O)Nc2cc(Cl)ccc2C)cc(OCC)c1OCC
InChIInChI=1S/C20H25ClN2O4/c1-5-25-17-11-15(12-18(26-6-2)19(17)27-7-3)22-20(24)23-16-10-14(21)9-8-13(16)4/h8-12H,5-7H2,1-4H3,(H2,22,23,24)
InChIKeyGPTFPVJYOWWOQF-UHFFFAOYSA-N
MW392.88 g/mol
LogP5.49
Rot. Bonds8

About 1-(5-chloro-2-methylphenyl)-3-(3,4,5-triethoxyphenyl)urea

1-(5-chloro-2-methylphenyl)-3-(3,4,5-triethoxyphenyl)urea (PubChem CID 108869698) has the molecular formula C20H25ClN2O4 and a molecular weight of 392.88 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-3-(3,4,5-triethoxyphenyl)urea.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-3-(3,4,5-triethoxyphenyl)urea
PubChem CID108869698
Molecular FormulaC20H25ClN2O4
Molecular Weight392.88 g/mol
Exact Mass392.15
IUPAC Name1-(5-chloro-2-methylphenyl)-3-(3,4,5-triethoxyphenyl)urea
SMILESCCOc1cc(NC(=O)Nc2cc(Cl)ccc2C)cc(OCC)c1OCC
InChIInChI=1S/C20H25ClN2O4/c1-5-25-17-11-15(12-18(26-6-2)19(17)27-7-3)22-20(24)23-16-10-14(21)9-8-13(16)4/h8-12H,5-7H2,1-4H3,(H2,22,23,24)
InChIKeyGPTFPVJYOWWOQF-UHFFFAOYSA-N
XLogP5.49
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.88
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-chlorophenyl)ethyl]-3-(3,4,5-triethoxyphenyl)urea
CID 108869954
1-(4-methylphenyl)-3-(3,4,5-triethoxyphenyl)urea
CID 108869610
1-(3,5-dimethylphenyl)-3-(3,4,5-triethoxyphenyl)urea
CID 108869864
1-(5-chloro-2-methoxyphenyl)-3-(3,4-diethoxyphenyl)urea
CID 108875508
1-[4-(diethylamino)-2-methylphenyl]-3-(3,4,5-triethoxyphenyl)urea
CID 108869898
1-(5-chloro-2-methylphenyl)-3-(4-methylphenyl)urea
CID 4577351
1-(5-chloro-2-methylphenyl)-3-(2-ethoxyethyl)urea
CID 3671934
1-(4-ethylphenyl)-3-(3,4,5-triethoxyphenyl)urea
CID 108869770
1-[(2-methylphenyl)methyl]-3-(3,4,5-triethoxyphenyl)urea
CID 108869935
1-(5-chloro-2-methylphenyl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891555
N-[3-[(3,4,5-triethoxyphenyl)carbamoylamino]phenyl]acetamide
CID 108869808
N'-(5-chloro-2-methylphenyl)-N-(4-ethoxyphenyl)oxamide
CID 45000868

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-3-(3,4,5-triethoxyphenyl)urea?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-3-(3,4,5-triethoxyphenyl)urea (CID 108869698) is 1-(5-chloro-2-methylphenyl)-3-(3,4,5-triethoxyphenyl)urea.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-3-(3,4,5-triethoxyphenyl)urea?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-3-(3,4,5-triethoxyphenyl)urea is CCOc1cc(NC(=O)Nc2cc(Cl)ccc2C)cc(OCC)c1OCC.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-3-(3,4,5-triethoxyphenyl)urea?
The InChIKey is GPTFPVJYOWWOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O4/c1-5-25-17-11-15(12-18(26-6-2)19(17)27-7-3)22-20(24)23-16-10-14(21)9-8-13(16)4/h8-12H,5-7H2,1-4H3,(H2,22,23,24).
What are the key properties of 1-(5-chloro-2-methylphenyl)-3-(3,4,5-triethoxyphenyl)urea?
1-(5-chloro-2-methylphenyl)-3-(3,4,5-triethoxyphenyl)urea has a molecular weight of 392.88 g/mol, XLogP of 5.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-3-(3,4,5-triethoxyphenyl)urea is sourced from PubChem (CID 108869698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).