1-(4-chlorophenyl)-3-[(3-methylphenyl)methyl]urea

C15H15ClN2O — CID 47159445

IUPAC1-(4-chlorophenyl)-3-[(3-methylphenyl)methyl]urea
SMILESCc1cccc(CNC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H15ClN2O/c1-11-3-2-4-12(9-11)10-17-15(19)18-14-7-5-13(16)6-8-14/h2-9H,10H2,1H3,(H2,17,18,19)
InChIKeyMTTAQFKDHLLYFB-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.97
Rot. Bonds3

About 1-(4-chlorophenyl)-3-[(3-methylphenyl)methyl]urea

1-(4-chlorophenyl)-3-[(3-methylphenyl)methyl]urea (PubChem CID 47159445) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(3-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(3-methylphenyl)methyl]urea
PubChem CID47159445
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name1-(4-chlorophenyl)-3-[(3-methylphenyl)methyl]urea
SMILESCc1cccc(CNC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H15ClN2O/c1-11-3-2-4-12(9-11)10-17-15(19)18-14-7-5-13(16)6-8-14/h2-9H,10H2,1H3,(H2,17,18,19)
InChIKeyMTTAQFKDHLLYFB-UHFFFAOYSA-N
XLogP3.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-[(3-methylphenyl)methylcarbamoylamino]phenyl]acetamide
CID 108898073
1-(3,4-difluorophenyl)-3-[(3-methylphenyl)methyl]urea
CID 47194938
1-(3,4-dichlorophenyl)-3-[(3-methylphenyl)methyl]urea
CID 108866438
1-[(3-methylphenyl)methyl]-3-(3,4,5-trihydroxyphenyl)urea
CID 108871988
1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)urea
CID 2982210
1-[(3-methylphenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 108898098
1-[(3-methylphenyl)methyl]-3-(4-pyrrolidin-1-ylphenyl)urea
CID 108988759
1-(3-aminophenyl)-3-[(3-methylphenyl)methyl]urea
CID 54944882
1-(4-methylphenyl)-3-[[3-(4-methylphenyl)phenyl]methyl]urea
CID 146076602
N-[(3-methylphenyl)methyl]-2-(phenylcarbamoylamino)acetamide
CID 38294266
1-[(3-methylphenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108898186
1-[(2-chlorophenyl)methyl]-3-[(3-methylphenyl)methyl]urea
CID 108897773

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(3-methylphenyl)methyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(3-methylphenyl)methyl]urea (CID 47159445) is 1-(4-chlorophenyl)-3-[(3-methylphenyl)methyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(3-methylphenyl)methyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(3-methylphenyl)methyl]urea is Cc1cccc(CNC(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(3-methylphenyl)methyl]urea?
The InChIKey is MTTAQFKDHLLYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-11-3-2-4-12(9-11)10-17-15(19)18-14-7-5-13(16)6-8-14/h2-9H,10H2,1H3,(H2,17,18,19).
What are the key properties of 1-(4-chlorophenyl)-3-[(3-methylphenyl)methyl]urea?
1-(4-chlorophenyl)-3-[(3-methylphenyl)methyl]urea has a molecular weight of 274.75 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(3-methylphenyl)methyl]urea is sourced from PubChem (CID 47159445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).