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

C19H23ClN2O2 — CID 113213547

IUPAC1-[(4-chlorophenyl)methyl]-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea
SMILESCOc1ccc(C(C)(C)CNC(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H23ClN2O2/c1-19(2,15-6-10-17(24-3)11-7-15)13-22-18(23)21-12-14-4-8-16(20)9-5-14/h4-11H,12-13H2,1-3H3,(H2,21,22,23)
InChIKeyYXBQKOXLRAROBO-UHFFFAOYSA-N
MW346.86 g/mol
LogP4.13
Rot. Bonds6

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

1-[(4-chlorophenyl)methyl]-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea (PubChem CID 113213547) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea
PubChem CID113213547
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name1-[(4-chlorophenyl)methyl]-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea
SMILESCOc1ccc(C(C)(C)CNC(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H23ClN2O2/c1-19(2,15-6-10-17(24-3)11-7-15)13-22-18(23)21-12-14-4-8-16(20)9-5-14/h4-11H,12-13H2,1-3H3,(H2,21,22,23)
InChIKeyYXBQKOXLRAROBO-UHFFFAOYSA-N
XLogP4.13
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(4-chlorophenyl)methyl]-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-chlorophenyl)methyl]-3-[2-(4-chlorophenyl)-2-methylpropyl]urea
CID 113213436
1-[(4-chlorophenyl)methyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea
CID 113216421
1-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea
CID 113213625
1-[(4-chlorophenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 46699791
1-(4-hydroxy-2,2-dimethylbutyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea
CID 111505453
1-(2-hydroxy-2-phenylpropyl)-3-[(4-methoxyphenyl)methyl]urea
CID 121112092
1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-3-methoxy-2-methylpropyl)urea
CID 56724283
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
methyl 2-[[2-(4-chlorophenyl)-2-methylpropyl]amino]-2-oxoacetate
CID 115142659
1-[(4-chlorophenyl)methyl]-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea
CID 121085776

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea (CID 113213547) is 1-[(4-chlorophenyl)methyl]-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea is COc1ccc(C(C)(C)CNC(=O)NCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea?
The InChIKey is YXBQKOXLRAROBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-19(2,15-6-10-17(24-3)11-7-15)13-22-18(23)21-12-14-4-8-16(20)9-5-14/h4-11H,12-13H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea?
1-[(4-chlorophenyl)methyl]-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea has a molecular weight of 346.86 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea is sourced from PubChem (CID 113213547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).