1-(4-chloro-2,5-dimethoxyphenyl)-3-(2-chloro-4,6-dimethylphenyl)urea

C17H18Cl2N2O3 — CID 108991921

IUPAC1-(4-chloro-2,5-dimethoxyphenyl)-3-(2-chloro-4,6-dimethylphenyl)urea
SMILESCOc1cc(NC(=O)Nc2c(C)cc(C)cc2Cl)c(OC)cc1Cl
InChIInChI=1S/C17H18Cl2N2O3/c1-9-5-10(2)16(12(19)6-9)21-17(22)20-13-8-14(23-3)11(18)7-15(13)24-4/h5-8H,1-4H3,(H2,20,21,22)
InChIKeyANQCCDQYKSWIFO-UHFFFAOYSA-N
MW369.25 g/mol
LogP5.27
Rot. Bonds4

About 1-(4-chloro-2,5-dimethoxyphenyl)-3-(2-chloro-4,6-dimethylphenyl)urea

1-(4-chloro-2,5-dimethoxyphenyl)-3-(2-chloro-4,6-dimethylphenyl)urea (PubChem CID 108991921) has the molecular formula C17H18Cl2N2O3 and a molecular weight of 369.25 g/mol. Its IUPAC name is 1-(4-chloro-2,5-dimethoxyphenyl)-3-(2-chloro-4,6-dimethylphenyl)urea.

Molecular Properties

Compound Name1-(4-chloro-2,5-dimethoxyphenyl)-3-(2-chloro-4,6-dimethylphenyl)urea
PubChem CID108991921
Molecular FormulaC17H18Cl2N2O3
Molecular Weight369.25 g/mol
Exact Mass368.07
IUPAC Name1-(4-chloro-2,5-dimethoxyphenyl)-3-(2-chloro-4,6-dimethylphenyl)urea
SMILESCOc1cc(NC(=O)Nc2c(C)cc(C)cc2Cl)c(OC)cc1Cl
InChIInChI=1S/C17H18Cl2N2O3/c1-9-5-10(2)16(12(19)6-9)21-17(22)20-13-8-14(23-3)11(18)7-15(13)24-4/h5-8H,1-4H3,(H2,20,21,22)
InChIKeyANQCCDQYKSWIFO-UHFFFAOYSA-N
XLogP5.27
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.25
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108954485
1-(5-chloro-2-methoxyphenyl)-3-(2,4,6-trimethylphenyl)urea
CID 108875486
1-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methoxy-2-methylphenyl)urea
CID 46860261
1-amino-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 43163908
1-(2-chloro-4,6-dimethylphenyl)-3-(3,5-dimethoxyphenyl)urea
CID 108869537
N'-(2-chloro-4,6-dimethylphenyl)-N-(2-methoxy-5-methylphenyl)oxamide
CID 108515624
N-(4-chloro-2,5-dimethoxyphenyl)-3,5-dimethylbenzamide
CID 918553
1-(4-bromophenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 108869311
1-(4-bromo-2-chlorophenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 1296806
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108532266
N-[4-[(4-chloro-2,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide
CID 108992307
N'-(2-chloro-4,6-dimethylphenyl)-N-(2,5-dimethoxyphenyl)oxamide
CID 108511990

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,5-dimethoxyphenyl)-3-(2-chloro-4,6-dimethylphenyl)urea?
The IUPAC name of 1-(4-chloro-2,5-dimethoxyphenyl)-3-(2-chloro-4,6-dimethylphenyl)urea (CID 108991921) is 1-(4-chloro-2,5-dimethoxyphenyl)-3-(2-chloro-4,6-dimethylphenyl)urea.
What is the SMILES notation for 1-(4-chloro-2,5-dimethoxyphenyl)-3-(2-chloro-4,6-dimethylphenyl)urea?
The canonical SMILES for 1-(4-chloro-2,5-dimethoxyphenyl)-3-(2-chloro-4,6-dimethylphenyl)urea is COc1cc(NC(=O)Nc2c(C)cc(C)cc2Cl)c(OC)cc1Cl.
What is the InChIKey of 1-(4-chloro-2,5-dimethoxyphenyl)-3-(2-chloro-4,6-dimethylphenyl)urea?
The InChIKey is ANQCCDQYKSWIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O3/c1-9-5-10(2)16(12(19)6-9)21-17(22)20-13-8-14(23-3)11(18)7-15(13)24-4/h5-8H,1-4H3,(H2,20,21,22).
What are the key properties of 1-(4-chloro-2,5-dimethoxyphenyl)-3-(2-chloro-4,6-dimethylphenyl)urea?
1-(4-chloro-2,5-dimethoxyphenyl)-3-(2-chloro-4,6-dimethylphenyl)urea has a molecular weight of 369.25 g/mol, XLogP of 5.27, 4 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-chloro-4,6-dimethylphenyl)urea is sourced from PubChem (CID 108991921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).