1-(4-benzylphenyl)-3-methylurea

C15H16N2O — CID 145326557

IUPAC1-(4-benzylphenyl)-3-methylurea
SMILESCNC(=O)Nc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C15H16N2O/c1-16-15(18)17-14-9-7-13(8-10-14)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H2,16,17,18)
InChIKeyWLLVMCBZMLECHN-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.03
Rot. Bonds3

About 1-(4-benzylphenyl)-3-methylurea

1-(4-benzylphenyl)-3-methylurea (PubChem CID 145326557) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-(4-benzylphenyl)-3-methylurea.

Molecular Properties

Compound Name1-(4-benzylphenyl)-3-methylurea
PubChem CID145326557
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name1-(4-benzylphenyl)-3-methylurea
SMILESCNC(=O)Nc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C15H16N2O/c1-16-15(18)17-14-9-7-13(8-10-14)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H2,16,17,18)
InChIKeyWLLVMCBZMLECHN-UHFFFAOYSA-N
XLogP3.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-3-phenylurea;propane
CID 142949663
1-(4-ethylphenyl)-3-methylurea
CID 54250791
1-methyl-3-[4-(phenylsulfanylmethyl)phenyl]urea
CID 134116571
ethane;2-phenyl-N-[4-[[4-[(2-phenylacetyl)amino]phenyl]methyl]phenyl]acetamide
CID 123587423
ethane;1-(4-ethylphenyl)-3-methylurea
CID 143679761
(2S)-2-amino-3-[4-(methylcarbamoylamino)phenyl]propanoic acid
CID 66819935
1-(dimethylamino)-3-[4-[[4-(dimethylaminocarbamoylamino)phenyl]methyl]phenyl]urea
CID 12842685
2-amino-N-[4-(methylcarbamoylamino)phenyl]acetamide
CID 43710915
2-[4-(phenylcarbamoylamino)phenyl]acetic acid
CID 564698
1-[4-(chloromethyl)phenyl]-3-phenylurea
CID 15895595
benzyl-bis[[4-(phenylcarbamoylamino)phenyl]methyl]azanium chloride
CID 118062709
2-[3-(methylcarbamoylamino)phenyl]acetic acid;hydrochloride
CID 70623172

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylphenyl)-3-methylurea?
The IUPAC name of 1-(4-benzylphenyl)-3-methylurea (CID 145326557) is 1-(4-benzylphenyl)-3-methylurea.
What is the SMILES notation for 1-(4-benzylphenyl)-3-methylurea?
The canonical SMILES for 1-(4-benzylphenyl)-3-methylurea is CNC(=O)Nc1ccc(Cc2ccccc2)cc1.
What is the InChIKey of 1-(4-benzylphenyl)-3-methylurea?
The InChIKey is WLLVMCBZMLECHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-16-15(18)17-14-9-7-13(8-10-14)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H2,16,17,18).
What are the key properties of 1-(4-benzylphenyl)-3-methylurea?
1-(4-benzylphenyl)-3-methylurea has a molecular weight of 240.31 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylphenyl)-3-methylurea is sourced from PubChem (CID 145326557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).