1-(2-benzylphenyl)-3-(2-methoxyphenyl)urea

C21H20N2O2 — CID 2554196

IUPAC1-(2-benzylphenyl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C21H20N2O2/c1-25-20-14-8-7-13-19(20)23-21(24)22-18-12-6-5-11-17(18)15-16-9-3-2-4-10-16/h2-14H,15H2,1H3,(H2,22,23,24)
InChIKeyOPRVVJIKBXMKFC-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.93
Rot. Bonds5

About 1-(2-benzylphenyl)-3-(2-methoxyphenyl)urea

1-(2-benzylphenyl)-3-(2-methoxyphenyl)urea (PubChem CID 2554196) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-(2-benzylphenyl)-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(2-benzylphenyl)-3-(2-methoxyphenyl)urea
PubChem CID2554196
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name1-(2-benzylphenyl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C21H20N2O2/c1-25-20-14-8-7-13-19(20)23-21(24)22-18-12-6-5-11-17(18)15-16-9-3-2-4-10-16/h2-14H,15H2,1H3,(H2,22,23,24)
InChIKeyOPRVVJIKBXMKFC-UHFFFAOYSA-N
XLogP4.93
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-benzylphenyl)-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-(2-benzylphenyl)-3-(2-methoxyphenyl)urea (CID 2554196) is 1-(2-benzylphenyl)-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-(2-benzylphenyl)-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-(2-benzylphenyl)-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)Nc1ccccc1Cc1ccccc1.
What is the InChIKey of 1-(2-benzylphenyl)-3-(2-methoxyphenyl)urea?
The InChIKey is OPRVVJIKBXMKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-25-20-14-8-7-13-19(20)23-21(24)22-18-12-6-5-11-17(18)15-16-9-3-2-4-10-16/h2-14H,15H2,1H3,(H2,22,23,24).
What are the key properties of 1-(2-benzylphenyl)-3-(2-methoxyphenyl)urea?
1-(2-benzylphenyl)-3-(2-methoxyphenyl)urea has a molecular weight of 332.40 g/mol, XLogP of 4.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzylphenyl)-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 2554196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).