1-(4-chloro-2,5-dimethoxyphenyl)-3-[(2-chlorophenyl)methyl]urea

C16H16Cl2N2O3 — CID 52594568

IUPAC1-(4-chloro-2,5-dimethoxyphenyl)-3-[(2-chlorophenyl)methyl]urea
SMILESCOc1cc(NC(=O)NCc2ccccc2Cl)c(OC)cc1Cl
InChIInChI=1S/C16H16Cl2N2O3/c1-22-14-8-13(15(23-2)7-12(14)18)20-16(21)19-9-10-5-3-4-6-11(10)17/h3-8H,9H2,1-2H3,(H2,19,20,21)
InChIKeyYXTMOFYHGYJVLS-UHFFFAOYSA-N
MW355.22 g/mol
LogP4.33
Rot. Bonds5

About 1-(4-chloro-2,5-dimethoxyphenyl)-3-[(2-chlorophenyl)methyl]urea

1-(4-chloro-2,5-dimethoxyphenyl)-3-[(2-chlorophenyl)methyl]urea (PubChem CID 52594568) has the molecular formula C16H16Cl2N2O3 and a molecular weight of 355.22 g/mol. Its IUPAC name is 1-(4-chloro-2,5-dimethoxyphenyl)-3-[(2-chlorophenyl)methyl]urea.

Molecular Properties

Compound Name1-(4-chloro-2,5-dimethoxyphenyl)-3-[(2-chlorophenyl)methyl]urea
PubChem CID52594568
Molecular FormulaC16H16Cl2N2O3
Molecular Weight355.22 g/mol
Exact Mass354.05
IUPAC Name1-(4-chloro-2,5-dimethoxyphenyl)-3-[(2-chlorophenyl)methyl]urea
SMILESCOc1cc(NC(=O)NCc2ccccc2Cl)c(OC)cc1Cl
InChIInChI=1S/C16H16Cl2N2O3/c1-22-14-8-13(15(23-2)7-12(14)18)20-16(21)19-9-10-5-3-4-6-11(10)17/h3-8H,9H2,1-2H3,(H2,19,20,21)
InChIKeyYXTMOFYHGYJVLS-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-(4-chloro-2,5-dimethoxyphenyl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 113213943
1-(4-chloro-2,5-dimethoxyphenyl)-3-(methoxymethyl)urea
CID 110676079
1-(3-chloro-4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 38158814
N-(4-chloro-2,5-dimethoxyphenyl)-2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 9162762
1-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)urea
CID 6469547
1-(5-chloro-2,4-dimethoxyphenyl)-3-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]urea
CID 20928640
N-[4-[(4-chloro-2,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide
CID 108992307
1-[(2-chlorophenyl)methyl]-3-(2-methylphenyl)urea
CID 6468848
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-nitrophenyl)acetamide
CID 1351291
1-amino-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 43163908
1-[(2-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)urea
CID 47192222
1-(4-bromophenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 108869311

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,5-dimethoxyphenyl)-3-[(2-chlorophenyl)methyl]urea?
The IUPAC name of 1-(4-chloro-2,5-dimethoxyphenyl)-3-[(2-chlorophenyl)methyl]urea (CID 52594568) is 1-(4-chloro-2,5-dimethoxyphenyl)-3-[(2-chlorophenyl)methyl]urea.
What is the SMILES notation for 1-(4-chloro-2,5-dimethoxyphenyl)-3-[(2-chlorophenyl)methyl]urea?
The canonical SMILES for 1-(4-chloro-2,5-dimethoxyphenyl)-3-[(2-chlorophenyl)methyl]urea is COc1cc(NC(=O)NCc2ccccc2Cl)c(OC)cc1Cl.
What is the InChIKey of 1-(4-chloro-2,5-dimethoxyphenyl)-3-[(2-chlorophenyl)methyl]urea?
The InChIKey is YXTMOFYHGYJVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O3/c1-22-14-8-13(15(23-2)7-12(14)18)20-16(21)19-9-10-5-3-4-6-11(10)17/h3-8H,9H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-(4-chloro-2,5-dimethoxyphenyl)-3-[(2-chlorophenyl)methyl]urea?
1-(4-chloro-2,5-dimethoxyphenyl)-3-[(2-chlorophenyl)methyl]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-(4-chloro-2,5-dimethoxyphenyl)-3-[(2-chlorophenyl)methyl]urea is sourced from PubChem (CID 52594568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).