1-(3,4-dichlorophenyl)-3-(3-methoxy-4-methylphenyl)urea

C15H14Cl2N2O2 — CID 57399895

IUPAC1-(3,4-dichlorophenyl)-3-(3-methoxy-4-methylphenyl)urea
SMILESCOc1cc(NC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1C
InChIInChI=1S/C15H14Cl2N2O2/c1-9-3-4-11(8-14(9)21-2)19-15(20)18-10-5-6-12(16)13(17)7-10/h3-8H,1-2H3,(H2,18,19,20)
InChIKeyYILTYDZCYUZJTE-UHFFFAOYSA-N
MW325.20 g/mol
LogP4.95
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-3-(3-methoxy-4-methylphenyl)urea

1-(3,4-dichlorophenyl)-3-(3-methoxy-4-methylphenyl)urea (PubChem CID 57399895) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.20 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(3-methoxy-4-methylphenyl)urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(3-methoxy-4-methylphenyl)urea
PubChem CID57399895
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.20 g/mol
Exact Mass324.04
IUPAC Name1-(3,4-dichlorophenyl)-3-(3-methoxy-4-methylphenyl)urea
SMILESCOc1cc(NC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1C
InChIInChI=1S/C15H14Cl2N2O2/c1-9-3-4-11(8-14(9)21-2)19-15(20)18-10-5-6-12(16)13(17)7-10/h3-8H,1-2H3,(H2,18,19,20)
InChIKeyYILTYDZCYUZJTE-UHFFFAOYSA-N
XLogP4.95
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-Dichloro-phenyl)-3-(4-methoxy-phenyl)-urea
CID 853588
N-(3-chloro-4-methylphenyl)-N'-(3-methoxyphenyl)urea
CID 727824
1-(4-Chloro-3-methoxy-phenyl)-3-[1-(3-isopropenylphenyl)-1-methyl-ethyl]urea
CID 71455424
1-(3-Chlorophenyl)-3-(3-methoxyphenyl)urea
CID 295289
1-(4-Chlorophenyl)-3-(3-methoxyphenyl)urea
CID 730368
N-{2-[4-(4-chlorophenyl)-1-piperazinyl]ethyl}-N'-(3-methoxy-4-methylphenyl)urea
CID 1258258
1-(3,5-Dichlorophenyl)-3-[3-methoxy-5-(trifluoromethyl)phenyl]urea
CID 2741551
1-[(2-Chlorophenyl)methyl]-3-(3-methoxyphenyl)urea
CID 727825
N-(3-Chlorophenyl)-N'-((4-methoxyphenyl)methyl)urea
CID 894484
1-(3,4-Dichlorophenyl)-3-(3-hydroxy-4-methylphenyl)urea
CID 49853560
1-(3,4-Dichlorophenyl)-3-[3-[2-(dimethylamino)ethoxy]-4-methylphenyl]urea
CID 49853563
1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-(3-methoxy-4-methylphenyl)urea
CID 57392955

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(3-methoxy-4-methylphenyl)urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(3-methoxy-4-methylphenyl)urea (CID 57399895) is 1-(3,4-dichlorophenyl)-3-(3-methoxy-4-methylphenyl)urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(3-methoxy-4-methylphenyl)urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(3-methoxy-4-methylphenyl)urea is COc1cc(NC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1C.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(3-methoxy-4-methylphenyl)urea?
The InChIKey is YILTYDZCYUZJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c1-9-3-4-11(8-14(9)21-2)19-15(20)18-10-5-6-12(16)13(17)7-10/h3-8H,1-2H3,(H2,18,19,20).
What are the key properties of 1-(3,4-dichlorophenyl)-3-(3-methoxy-4-methylphenyl)urea?
1-(3,4-dichlorophenyl)-3-(3-methoxy-4-methylphenyl)urea has a molecular weight of 325.20 g/mol, XLogP of 4.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(3-methoxy-4-methylphenyl)urea is sourced from PubChem (CID 57399895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).