1-(3-chlorophenyl)-3-[3-[(3-chlorophenyl)carbamoylamino]-2,4,6-trimethylphenyl]urea

C23H22Cl2N4O2 — CID 4085959

IUPAC1-(3-chlorophenyl)-3-[3-[(3-chlorophenyl)carbamoylamino]-2,4,6-trimethylphenyl]urea
SMILESCc1cc(C)c(NC(=O)Nc2cccc(Cl)c2)c(C)c1NC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C23H22Cl2N4O2/c1-13-10-14(2)21(29-23(31)27-19-9-5-7-17(25)12-19)15(3)20(13)28-22(30)26-18-8-4-6-16(24)11-18/h4-12H,1-3H3,(H2,26,28,30)(H2,27,29,31)
InChIKeyHSXNQMJNPUYSIY-UHFFFAOYSA-N
MW457.36 g/mol
LogP7.21
Rot. Bonds4

About 1-(3-chlorophenyl)-3-[3-[(3-chlorophenyl)carbamoylamino]-2,4,6-trimethylphenyl]urea

1-(3-chlorophenyl)-3-[3-[(3-chlorophenyl)carbamoylamino]-2,4,6-trimethylphenyl]urea (PubChem CID 4085959) has the molecular formula C23H22Cl2N4O2 and a molecular weight of 457.36 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[3-[(3-chlorophenyl)carbamoylamino]-2,4,6-trimethylphenyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[3-[(3-chlorophenyl)carbamoylamino]-2,4,6-trimethylphenyl]urea
PubChem CID4085959
Molecular FormulaC23H22Cl2N4O2
Molecular Weight457.36 g/mol
Exact Mass456.11
IUPAC Name1-(3-chlorophenyl)-3-[3-[(3-chlorophenyl)carbamoylamino]-2,4,6-trimethylphenyl]urea
SMILESCc1cc(C)c(NC(=O)Nc2cccc(Cl)c2)c(C)c1NC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C23H22Cl2N4O2/c1-13-10-14(2)21(29-23(31)27-19-9-5-7-17(25)12-19)15(3)20(13)28-22(30)26-18-8-4-6-16(24)11-18/h4-12H,1-3H3,(H2,26,28,30)(H2,27,29,31)
InChIKeyHSXNQMJNPUYSIY-UHFFFAOYSA-N
XLogP7.21
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.36
LogP ≤ 57.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Analyze 1-(3-chlorophenyl)-3-[3-[(3-chlorophenyl)carbamoylamino]-2,4,6-trimethylphenyl]urea with MolForge

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Related Compounds

1-(3,5-dichlorophenyl)-3-(2,6-dimethylphenyl)urea
CID 108991412
5-[(3-chlorophenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid
CID 16770990
1-(3-chlorophenyl)-3-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]urea
CID 2224609
4-[(3-chlorophenyl)carbamoylamino]benzenesulfonic acid
CID 108869978
1-(3-chlorophenyl)-3-(3-ethylphenyl)urea
CID 3247942
3-chloro-2-[(3-chlorophenyl)carbamoylamino]benzoic acid
CID 107049046
1-(2-chloro-4,6-dimethylphenyl)-3-(3-methylphenyl)urea
CID 108888004
CID 73055968
CID 73055968
CID 168763640
CID 168763640
1-(3-chlorophenyl)-3-(4-methoxyphenyl)urea
CID 727874
1-(2-chloro-4,6-dimethylphenyl)-3-(3-hydroxyphenyl)urea
CID 108895874
(3-chlorophenyl)urea;1,2-xylene
CID 70502289

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[3-[(3-chlorophenyl)carbamoylamino]-2,4,6-trimethylphenyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[3-[(3-chlorophenyl)carbamoylamino]-2,4,6-trimethylphenyl]urea (CID 4085959) is 1-(3-chlorophenyl)-3-[3-[(3-chlorophenyl)carbamoylamino]-2,4,6-trimethylphenyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[3-[(3-chlorophenyl)carbamoylamino]-2,4,6-trimethylphenyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[3-[(3-chlorophenyl)carbamoylamino]-2,4,6-trimethylphenyl]urea is Cc1cc(C)c(NC(=O)Nc2cccc(Cl)c2)c(C)c1NC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[3-[(3-chlorophenyl)carbamoylamino]-2,4,6-trimethylphenyl]urea?
The InChIKey is HSXNQMJNPUYSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N4O2/c1-13-10-14(2)21(29-23(31)27-19-9-5-7-17(25)12-19)15(3)20(13)28-22(30)26-18-8-4-6-16(24)11-18/h4-12H,1-3H3,(H2,26,28,30)(H2,27,29,31).
What are the key properties of 1-(3-chlorophenyl)-3-[3-[(3-chlorophenyl)carbamoylamino]-2,4,6-trimethylphenyl]urea?
1-(3-chlorophenyl)-3-[3-[(3-chlorophenyl)carbamoylamino]-2,4,6-trimethylphenyl]urea has a molecular weight of 457.36 g/mol, XLogP of 7.21, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[3-[(3-chlorophenyl)carbamoylamino]-2,4,6-trimethylphenyl]urea is sourced from PubChem (CID 4085959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).