1-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methyl]urea

C16H17ClN2O — CID 47133587

IUPAC1-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C16H17ClN2O/c1-12-6-8-13(9-7-12)10-18-16(20)19-11-14-4-2-3-5-15(14)17/h2-9H,10-11H2,1H3,(H2,18,19,20)
InChIKeySBYCCQQBGKVHFB-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.65
Rot. Bonds4

About 1-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methyl]urea

1-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methyl]urea (PubChem CID 47133587) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methyl]urea
PubChem CID47133587
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name1-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C16H17ClN2O/c1-12-6-8-13(9-7-12)10-18-16(20)19-11-14-4-2-3-5-15(14)17/h2-9H,10-11H2,1H3,(H2,18,19,20)
InChIKeySBYCCQQBGKVHFB-UHFFFAOYSA-N
XLogP3.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2-chlorophenyl)methyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108891006
1-[(2-methylphenyl)methyl]-3-[(4-methylphenyl)methyl]urea
CID 47133695
1-[(2-chlorophenyl)methyl]-3-[(3-methylphenyl)methyl]urea
CID 108897773
1-[(2-chlorophenyl)methyl]-3-[[4-(dimethylamino)phenyl]methyl]urea
CID 38949067
3-(2-chlorophenyl)-N-[(4-methylphenyl)methyl]propanamide
CID 38089852
1-[(4-chlorophenyl)methyl]-3-[(2-methylphenyl)methyl]urea
CID 108897128
N-[(2-chlorophenyl)methyl]-1H-indazole-3-carboxamide;N-[(4-methylphenyl)methyl]-1H-indazole-3-carboxamide
CID 69079053
N-[(2,4-dichlorophenyl)methyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide
CID 26018842
N-[(2-chlorophenyl)methyl]-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280627
N-benzyl-N'-[(2-chlorophenyl)methyl]propanediamide
CID 108945203
1-[(2-chlorophenyl)methyl]-3-(2-methylphenyl)urea
CID 6468848
1-[(2-chlorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 38157251

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methyl]urea?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methyl]urea (CID 47133587) is 1-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methyl]urea.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methyl]urea?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methyl]urea is Cc1ccc(CNC(=O)NCc2ccccc2Cl)cc1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methyl]urea?
The InChIKey is SBYCCQQBGKVHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-12-6-8-13(9-7-12)10-18-16(20)19-11-14-4-2-3-5-15(14)17/h2-9H,10-11H2,1H3,(H2,18,19,20).
What are the key properties of 1-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methyl]urea?
1-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methyl]urea has a molecular weight of 288.78 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methyl]urea is sourced from PubChem (CID 47133587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).