3-[(3-chlorophenyl)methyl]-1-methyl-1-phenylurea

C15H15ClN2O — CID 110301228

IUPAC3-[(3-chlorophenyl)methyl]-1-methyl-1-phenylurea
SMILESCN(C(=O)NCc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C15H15ClN2O/c1-18(14-8-3-2-4-9-14)15(19)17-11-12-6-5-7-13(16)10-12/h2-10H,11H2,1H3,(H,17,19)
InChIKeyUZEWPDBLVDDBCY-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.69
Rot. Bonds3

About 3-[(3-chlorophenyl)methyl]-1-methyl-1-phenylurea

3-[(3-chlorophenyl)methyl]-1-methyl-1-phenylurea (PubChem CID 110301228) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methyl]-1-methyl-1-phenylurea.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methyl]-1-methyl-1-phenylurea
PubChem CID110301228
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name3-[(3-chlorophenyl)methyl]-1-methyl-1-phenylurea
SMILESCN(C(=O)NCc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C15H15ClN2O/c1-18(14-8-3-2-4-9-14)15(19)17-11-12-6-5-7-13(16)10-12/h2-10H,11H2,1H3,(H,17,19)
InChIKeyUZEWPDBLVDDBCY-UHFFFAOYSA-N
XLogP3.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(3-chlorophenyl)methylcarbamoyl-methylamino]propanoic acid
CID 62532266
1-butyl-3-[(3-chlorophenyl)methyl]-1-methylurea
CID 110301221
1-benzyl-3-[(3-chlorophenyl)methyl]-1-ethylurea
CID 110301185
N-[(3-chlorophenyl)methyl]-3-(dimethylamino)benzamide
CID 7922599
3-[benzyl(methyl)amino]-N-[(3-chlorophenyl)methyl]propanamide
CID 118607410
N-[(3-chlorophenyl)methyl]-3-(N-formylanilino)-2-hydroxybutanamide
CID 134349858
3-[(3-chlorophenyl)methyl]-1,1-bis(2-hydroxyethyl)urea
CID 108898653
3-[(3-chlorophenyl)methyl]-1-methyl-1-[2-(2-methylphenoxy)ethyl]urea
CID 47015060
1-N-[2-(3-chlorophenyl)ethyl]-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109049117
N-[2-(3-chlorophenyl)ethyl]-N',2,2-trimethyl-N'-phenylpropanediamide
CID 108966948
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125
1-[(3-chlorophenyl)methyl]-3-[2-(dimethylamino)-2-phenylethyl]urea
CID 110301965

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methyl]-1-methyl-1-phenylurea?
The IUPAC name of 3-[(3-chlorophenyl)methyl]-1-methyl-1-phenylurea (CID 110301228) is 3-[(3-chlorophenyl)methyl]-1-methyl-1-phenylurea.
What is the SMILES notation for 3-[(3-chlorophenyl)methyl]-1-methyl-1-phenylurea?
The canonical SMILES for 3-[(3-chlorophenyl)methyl]-1-methyl-1-phenylurea is CN(C(=O)NCc1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of 3-[(3-chlorophenyl)methyl]-1-methyl-1-phenylurea?
The InChIKey is UZEWPDBLVDDBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-18(14-8-3-2-4-9-14)15(19)17-11-12-6-5-7-13(16)10-12/h2-10H,11H2,1H3,(H,17,19).
What are the key properties of 3-[(3-chlorophenyl)methyl]-1-methyl-1-phenylurea?
3-[(3-chlorophenyl)methyl]-1-methyl-1-phenylurea has a molecular weight of 274.75 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methyl]-1-methyl-1-phenylurea is sourced from PubChem (CID 110301228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).