1-(5-chloro-2-methoxyphenyl)-3-(2,4,6-trimethylphenyl)urea

C17H19ClN2O2 — CID 108875486

IUPAC1-(5-chloro-2-methoxyphenyl)-3-(2,4,6-trimethylphenyl)urea
SMILESCOc1ccc(Cl)cc1NC(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C17H19ClN2O2/c1-10-7-11(2)16(12(3)8-10)20-17(21)19-14-9-13(18)5-6-15(14)22-4/h5-9H,1-4H3,(H2,19,20,21)
InChIKeyTXBFKPIWZZRROG-UHFFFAOYSA-N
MW318.80 g/mol
LogP4.92
Rot. Bonds3

About 1-(5-chloro-2-methoxyphenyl)-3-(2,4,6-trimethylphenyl)urea

1-(5-chloro-2-methoxyphenyl)-3-(2,4,6-trimethylphenyl)urea (PubChem CID 108875486) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-(2,4,6-trimethylphenyl)urea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-(2,4,6-trimethylphenyl)urea
PubChem CID108875486
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-(2,4,6-trimethylphenyl)urea
SMILESCOc1ccc(Cl)cc1NC(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C17H19ClN2O2/c1-10-7-11(2)16(12(3)8-10)20-17(21)19-14-9-13(18)5-6-15(14)22-4/h5-9H,1-4H3,(H2,19,20,21)
InChIKeyTXBFKPIWZZRROG-UHFFFAOYSA-N
XLogP4.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(5-chloro-2-methoxyphenyl)-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142425
1-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea
CID 122302630
1-(5-chloro-2-methoxyphenyl)-3-(4,6-dimethyl-2-pyridinyl)urea
CID 971831
1-(5-chloro-2-methoxyphenyl)-3-(5-fluoro-2-methylphenyl)urea
CID 970503
1-(4-chloro-2,5-dimethoxyphenyl)-3-(2-chloro-4,6-dimethylphenyl)urea
CID 108991921
(Z)-N-(5-chloro-2-methoxyphenyl)-2-cyano-3-(2,4,6-trimethylanilino)prop-2-enamide
CID 108827702
1-(5-chloro-2-methoxyphenyl)-3-(cyanomethyl)urea
CID 108864649
1-(5-chloro-2-methoxyphenyl)-3-prop-1-en-2-ylurea
CID 108910159
N-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethylphenoxy)propanamide
CID 17341494
methyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]acetate
CID 108875604
N'-(2-chloro-4,6-dimethylphenyl)-N-(2-methoxy-5-methylphenyl)oxamide
CID 108515624
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 1222422

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(2,4,6-trimethylphenyl)urea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(2,4,6-trimethylphenyl)urea (CID 108875486) is 1-(5-chloro-2-methoxyphenyl)-3-(2,4,6-trimethylphenyl)urea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-(2,4,6-trimethylphenyl)urea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-(2,4,6-trimethylphenyl)urea is COc1ccc(Cl)cc1NC(=O)Nc1c(C)cc(C)cc1C.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-(2,4,6-trimethylphenyl)urea?
The InChIKey is TXBFKPIWZZRROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-10-7-11(2)16(12(3)8-10)20-17(21)19-14-9-13(18)5-6-15(14)22-4/h5-9H,1-4H3,(H2,19,20,21).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-(2,4,6-trimethylphenyl)urea?
1-(5-chloro-2-methoxyphenyl)-3-(2,4,6-trimethylphenyl)urea has a molecular weight of 318.80 g/mol, XLogP of 4.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-(2,4,6-trimethylphenyl)urea is sourced from PubChem (CID 108875486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).