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

C18H21ClN2O2 — CID 113213625

IUPAC1-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea
SMILESCOc1ccc(C(C)(C)CNC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H21ClN2O2/c1-18(2,13-4-10-16(23-3)11-5-13)12-20-17(22)21-15-8-6-14(19)7-9-15/h4-11H,12H2,1-3H3,(H2,20,21,22)
InChIKeyMWPMXXRESDYALG-UHFFFAOYSA-N
MW332.83 g/mol
LogP4.45
Rot. Bonds5

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

1-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea (PubChem CID 113213625) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea
PubChem CID113213625
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name1-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea
SMILESCOc1ccc(C(C)(C)CNC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H21ClN2O2/c1-18(2,13-4-10-16(23-3)11-5-13)12-20-17(22)21-15-8-6-14(19)7-9-15/h4-11H,12H2,1-3H3,(H2,20,21,22)
InChIKeyMWPMXXRESDYALG-UHFFFAOYSA-N
XLogP4.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethoxyphenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea
CID 113213639
1-[(4-chlorophenyl)methyl]-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea
CID 113213547
ethyl 4-[[2-(4-chlorophenyl)-2-methylpropyl]carbamoylamino]benzoate
CID 113213509
1-(1,3-benzodioxol-5-yl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea
CID 113213671
1-[2-(4-methoxyphenyl)-2-methylpropyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 113213647
1-(4-hydroxy-2,2-dimethylbutyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea
CID 111505453
1-(2,4-difluorophenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea
CID 113213675
1-(4-tert-butylphenyl)-3-(2-methyl-2-phenylpropyl)urea
CID 113213276
methyl 2-[[2-(4-chlorophenyl)-2-methylpropyl]amino]-2-oxoacetate
CID 115142659
1-(2-methyl-2-phenylpropyl)-3-(4-propan-2-yloxyphenyl)urea
CID 113213293
1-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]urea
CID 113213805
1-(3-hydroxy-2,2,4-trimethylpentyl)-3-(4-methoxyphenyl)urea
CID 109379511

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea (CID 113213625) is 1-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea is COc1ccc(C(C)(C)CNC(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea?
The InChIKey is MWPMXXRESDYALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-18(2,13-4-10-16(23-3)11-5-13)12-20-17(22)21-15-8-6-14(19)7-9-15/h4-11H,12H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea?
1-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea has a molecular weight of 332.83 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea is sourced from PubChem (CID 113213625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).