1-[(3,4-dichlorophenyl)methyl]-3-(3,5-dimethoxyphenyl)urea

C16H16Cl2N2O3 — CID 3868754

IUPAC1-[(3,4-dichlorophenyl)methyl]-3-(3,5-dimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)NCc2ccc(Cl)c(Cl)c2)cc(OC)c1
InChIInChI=1S/C16H16Cl2N2O3/c1-22-12-6-11(7-13(8-12)23-2)20-16(21)19-9-10-3-4-14(17)15(18)5-10/h3-8H,9H2,1-2H3,(H2,19,20,21)
InChIKeyKEPQNHFUNREYQB-UHFFFAOYSA-N
MW355.22 g/mol
LogP4.33
Rot. Bonds5

About 1-[(3,4-dichlorophenyl)methyl]-3-(3,5-dimethoxyphenyl)urea

1-[(3,4-dichlorophenyl)methyl]-3-(3,5-dimethoxyphenyl)urea (PubChem CID 3868754) has the molecular formula C16H16Cl2N2O3 and a molecular weight of 355.22 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-3-(3,5-dimethoxyphenyl)urea.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-3-(3,5-dimethoxyphenyl)urea
PubChem CID3868754
Molecular FormulaC16H16Cl2N2O3
Molecular Weight355.22 g/mol
Exact Mass354.05
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-3-(3,5-dimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)NCc2ccc(Cl)c(Cl)c2)cc(OC)c1
InChIInChI=1S/C16H16Cl2N2O3/c1-22-12-6-11(7-13(8-12)23-2)20-16(21)19-9-10-3-4-14(17)15(18)5-10/h3-8H,9H2,1-2H3,(H2,19,20,21)
InChIKeyKEPQNHFUNREYQB-UHFFFAOYSA-N
XLogP4.33
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)urea
CID 3844619
1-(4-chlorophenyl)-3-[(3,5-dimethoxyphenyl)methyl]urea
CID 23819690
1-[(3,5-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea
CID 23795256
1-[(3,5-dimethoxyphenyl)methyl]-3-phenylurea
CID 3367355
methyl 2-[(3,4-dichlorophenyl)methylcarbamoylamino]benzoate
CID 1294805
1-[(4-methoxyphenyl)methyl]-3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]urea
CID 1243878
2-(3,4-dichlorophenoxy)-N-(3,5-dimethoxyphenyl)acetamide
CID 2706581
2-(3,4-dichloroanilino)-N-(3,5-dimethoxyphenyl)acetamide
CID 4796501
1-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)urea
CID 5080990
1-(3,4-dichlorophenyl)-3-[(3-methylphenyl)methyl]urea
CID 108866438
1-(3-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3785527
(2S)-2-[(3,4-dichlorophenyl)methylcarbamoylamino]-N-[1-[(3,5-dimethoxyphenyl)methylamino]-1,2-dioxopentan-3-yl]-4-methylpentanamide
CID 166709330

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-3-(3,5-dimethoxyphenyl)urea?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-3-(3,5-dimethoxyphenyl)urea (CID 3868754) is 1-[(3,4-dichlorophenyl)methyl]-3-(3,5-dimethoxyphenyl)urea.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-3-(3,5-dimethoxyphenyl)urea?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-3-(3,5-dimethoxyphenyl)urea is COc1cc(NC(=O)NCc2ccc(Cl)c(Cl)c2)cc(OC)c1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-3-(3,5-dimethoxyphenyl)urea?
The InChIKey is KEPQNHFUNREYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O3/c1-22-12-6-11(7-13(8-12)23-2)20-16(21)19-9-10-3-4-14(17)15(18)5-10/h3-8H,9H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-3-(3,5-dimethoxyphenyl)urea?
1-[(3,4-dichlorophenyl)methyl]-3-(3,5-dimethoxyphenyl)urea has a molecular weight of 355.22 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-3-(3,5-dimethoxyphenyl)urea is sourced from PubChem (CID 3868754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).