1-[(4-chlorophenyl)methyl]-3-[2-(4-chlorophenyl)-2-methylpropyl]urea

C18H20Cl2N2O — CID 113213436

IUPAC1-[(4-chlorophenyl)methyl]-3-[2-(4-chlorophenyl)-2-methylpropyl]urea
SMILESCC(C)(CNC(=O)NCc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H20Cl2N2O/c1-18(2,14-5-9-16(20)10-6-14)12-22-17(23)21-11-13-3-7-15(19)8-4-13/h3-10H,11-12H2,1-2H3,(H2,21,22,23)
InChIKeyGGVQDGWRNNTKLS-UHFFFAOYSA-N
MW351.28 g/mol
LogP4.77
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-3-[2-(4-chlorophenyl)-2-methylpropyl]urea

1-[(4-chlorophenyl)methyl]-3-[2-(4-chlorophenyl)-2-methylpropyl]urea (PubChem CID 113213436) has the molecular formula C18H20Cl2N2O and a molecular weight of 351.28 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-[2-(4-chlorophenyl)-2-methylpropyl]urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-[2-(4-chlorophenyl)-2-methylpropyl]urea
PubChem CID113213436
Molecular FormulaC18H20Cl2N2O
Molecular Weight351.28 g/mol
Exact Mass350.10
IUPAC Name1-[(4-chlorophenyl)methyl]-3-[2-(4-chlorophenyl)-2-methylpropyl]urea
SMILESCC(C)(CNC(=O)NCc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H20Cl2N2O/c1-18(2,14-5-9-16(20)10-6-14)12-22-17(23)21-11-13-3-7-15(19)8-4-13/h3-10H,11-12H2,1-2H3,(H2,21,22,23)
InChIKeyGGVQDGWRNNTKLS-UHFFFAOYSA-N
XLogP4.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.28
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-chlorophenyl)methyl]-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea
CID 113213547
1-benzyl-3-(2-methyl-2-phenylpropyl)urea
CID 38887064
3-[(4-chlorophenyl)methylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66173045
3-[(4-chlorophenyl)methylcarbamoylamino]-2,2-dimethylpropanamide
CID 56813966
1-[(4-chlorophenyl)methyl]-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea
CID 121085776
1-[2-(4-chlorophenyl)-2-methylpropyl]-3-propan-2-ylurea
CID 47307554
1-(4-tert-butylphenyl)-3-[(4-chlorophenyl)methyl]urea
CID 108884751
1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-3-methoxy-2-methylpropyl)urea
CID 56724283
2-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]-2-methylpropanamide
CID 110460951
N-[2-(4-chlorophenyl)-2-methylpropyl]-2-sulfanylacetamide
CID 115167558
1-[(2R)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3-[(4-chlorophenyl)methyl]urea
CID 95982924
2-(4-aminophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119738044

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[2-(4-chlorophenyl)-2-methylpropyl]urea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[2-(4-chlorophenyl)-2-methylpropyl]urea (CID 113213436) is 1-[(4-chlorophenyl)methyl]-3-[2-(4-chlorophenyl)-2-methylpropyl]urea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-[2-(4-chlorophenyl)-2-methylpropyl]urea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-[2-(4-chlorophenyl)-2-methylpropyl]urea is CC(C)(CNC(=O)NCc1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-[2-(4-chlorophenyl)-2-methylpropyl]urea?
The InChIKey is GGVQDGWRNNTKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O/c1-18(2,14-5-9-16(20)10-6-14)12-22-17(23)21-11-13-3-7-15(19)8-4-13/h3-10H,11-12H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-[2-(4-chlorophenyl)-2-methylpropyl]urea?
1-[(4-chlorophenyl)methyl]-3-[2-(4-chlorophenyl)-2-methylpropyl]urea has a molecular weight of 351.28 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-[2-(4-chlorophenyl)-2-methylpropyl]urea is sourced from PubChem (CID 113213436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).