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

C18H21ClN2O2 — CID 113216421

IUPAC1-[(4-chlorophenyl)methyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea
SMILESCOc1ccc(C(C)(C)NC(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H21ClN2O2/c1-18(2,14-6-10-16(23-3)11-7-14)21-17(22)20-12-13-4-8-15(19)9-5-13/h4-11H,12H2,1-3H3,(H2,20,21,22)
InChIKeyZDOOADXSNDKEAU-UHFFFAOYSA-N
MW332.83 g/mol
LogP4.08
Rot. Bonds5

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

1-[(4-chlorophenyl)methyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea (PubChem CID 113216421) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea
PubChem CID113216421
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name1-[(4-chlorophenyl)methyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea
SMILESCOc1ccc(C(C)(C)NC(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H21ClN2O2/c1-18(2,14-6-10-16(23-3)11-7-14)21-17(22)20-12-13-4-8-15(19)9-5-13/h4-11H,12H2,1-3H3,(H2,20,21,22)
InChIKeyZDOOADXSNDKEAU-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-chlorophenyl)methyl]-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea
CID 113213547
2-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)propan-2-yl]acetamide
CID 113091682
1-[(2-fluorophenyl)methyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea
CID 113216418
1-[(4-chlorophenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 46699791
1-[2-(4-methoxyphenyl)propan-2-yl]-3-[(2-methylphenyl)methyl]urea
CID 113216413
1-[2-(4-methoxyphenoxy)ethyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea
CID 113216461
1-[(3-methoxyphenyl)methyl]-3-[2-[3-[2-[(3-methoxyphenyl)methylcarbamoylamino]propan-2-yl]phenyl]propan-2-yl]urea
CID 27060588
1-[2-(dimethylamino)ethyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea
CID 113216404
N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 809048
1-[(4-chlorophenyl)methyl]-3-[2-(4-chlorophenyl)-2-methylpropyl]urea
CID 113213436
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea
CID 113216560
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 110285268

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea (CID 113216421) is 1-[(4-chlorophenyl)methyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea is COc1ccc(C(C)(C)NC(=O)NCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea?
The InChIKey is ZDOOADXSNDKEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-18(2,14-6-10-16(23-3)11-7-14)21-17(22)20-12-13-4-8-15(19)9-5-13/h4-11H,12H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea?
1-[(4-chlorophenyl)methyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea has a molecular weight of 332.83 g/mol, XLogP of 4.08, 5 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)propan-2-yl]urea is sourced from PubChem (CID 113216421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).