1-(4-chloro-2-methoxy-5-methylphenyl)-3-(3-chloro-2-methylphenyl)urea

C16H16Cl2N2O2 — CID 108991794

IUPAC1-(4-chloro-2-methoxy-5-methylphenyl)-3-(3-chloro-2-methylphenyl)urea
SMILESCOc1cc(Cl)c(C)cc1NC(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C16H16Cl2N2O2/c1-9-7-14(15(22-3)8-12(9)18)20-16(21)19-13-6-4-5-11(17)10(13)2/h4-8H,1-3H3,(H2,19,20,21)
InChIKeyILDCMFKIVWBSQR-UHFFFAOYSA-N
MW339.22 g/mol
LogP5.26
Rot. Bonds3

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

1-(4-chloro-2-methoxy-5-methylphenyl)-3-(3-chloro-2-methylphenyl)urea (PubChem CID 108991794) has the molecular formula C16H16Cl2N2O2 and a molecular weight of 339.22 g/mol. Its IUPAC name is 1-(4-chloro-2-methoxy-5-methylphenyl)-3-(3-chloro-2-methylphenyl)urea.

Molecular Properties

Compound Name1-(4-chloro-2-methoxy-5-methylphenyl)-3-(3-chloro-2-methylphenyl)urea
PubChem CID108991794
Molecular FormulaC16H16Cl2N2O2
Molecular Weight339.22 g/mol
Exact Mass338.06
IUPAC Name1-(4-chloro-2-methoxy-5-methylphenyl)-3-(3-chloro-2-methylphenyl)urea
SMILESCOc1cc(Cl)c(C)cc1NC(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C16H16Cl2N2O2/c1-9-7-14(15(22-3)8-12(9)18)20-16(21)19-13-6-4-5-11(17)10(13)2/h4-8H,1-3H3,(H2,19,20,21)
InChIKeyILDCMFKIVWBSQR-UHFFFAOYSA-N
XLogP5.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.22
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(2,6-dichlorophenyl)oxamide
CID 108532298
1-N-(4-chloro-2-methoxy-5-methylphenyl)-2-N-(2,3-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141972
N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylbenzamide
CID 2107284
N-(4-chloro-2-methoxy-5-methylphenyl)-2,6-dihydroxybenzamide
CID 107688924
1-(3-chloro-2-methylphenyl)-3-(2-methylphenyl)urea
CID 19165606
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-ethylphenyl)oxamide
CID 108530380
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(3,4,5-trihydroxyphenyl)urea
CID 108871952
2-amino-6-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide
CID 63658199
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-ethylphenyl)urea
CID 108991505
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)benzamide
CID 60680092
1-(3-chloro-2-methylphenyl)-3-(5-chloro-2-methylphenyl)urea
CID 108991775

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methoxy-5-methylphenyl)-3-(3-chloro-2-methylphenyl)urea?
The IUPAC name of 1-(4-chloro-2-methoxy-5-methylphenyl)-3-(3-chloro-2-methylphenyl)urea (CID 108991794) is 1-(4-chloro-2-methoxy-5-methylphenyl)-3-(3-chloro-2-methylphenyl)urea.
What is the SMILES notation for 1-(4-chloro-2-methoxy-5-methylphenyl)-3-(3-chloro-2-methylphenyl)urea?
The canonical SMILES for 1-(4-chloro-2-methoxy-5-methylphenyl)-3-(3-chloro-2-methylphenyl)urea is COc1cc(Cl)c(C)cc1NC(=O)Nc1cccc(Cl)c1C.
What is the InChIKey of 1-(4-chloro-2-methoxy-5-methylphenyl)-3-(3-chloro-2-methylphenyl)urea?
The InChIKey is ILDCMFKIVWBSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O2/c1-9-7-14(15(22-3)8-12(9)18)20-16(21)19-13-6-4-5-11(17)10(13)2/h4-8H,1-3H3,(H2,19,20,21).
What are the key properties of 1-(4-chloro-2-methoxy-5-methylphenyl)-3-(3-chloro-2-methylphenyl)urea?
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(3-chloro-2-methylphenyl)urea has a molecular weight of 339.22 g/mol, XLogP of 5.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methoxy-5-methylphenyl)-3-(3-chloro-2-methylphenyl)urea is sourced from PubChem (CID 108991794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).