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

C16H17ClN2O — CID 108897128

IUPAC1-[(4-chlorophenyl)methyl]-3-[(2-methylphenyl)methyl]urea
SMILESCc1ccccc1CNC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O/c1-12-4-2-3-5-14(12)11-19-16(20)18-10-13-6-8-15(17)9-7-13/h2-9H,10-11H2,1H3,(H2,18,19,20)
InChIKeyNIWKYHHQUAHRBA-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.65
Rot. Bonds4

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

1-[(4-chlorophenyl)methyl]-3-[(2-methylphenyl)methyl]urea (PubChem CID 108897128) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-[(2-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-[(2-methylphenyl)methyl]urea
PubChem CID108897128
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name1-[(4-chlorophenyl)methyl]-3-[(2-methylphenyl)methyl]urea
SMILESCc1ccccc1CNC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O/c1-12-4-2-3-5-14(12)11-19-16(20)18-10-13-6-8-15(17)9-7-13/h2-9H,10-11H2,1H3,(H2,18,19,20)
InChIKeyNIWKYHHQUAHRBA-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-methylphenyl)methyl]-3-[(4-methylphenyl)methyl]urea
CID 47133695
1-[(4-chlorophenoxy)methyl]-3-[(2-methylphenyl)methyl]urea
CID 108885386
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 112992693
1-(4-chlorophenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 8898296
1-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methyl]urea
CID 47133587
1-N-[2-(4-chlorophenyl)ethyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974930
1-[2-(2-chlorophenyl)ethyl]-3-[(2-methylphenyl)methyl]urea
CID 60595877
1-[(2-methylphenyl)methyl]-3-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]urea
CID 24612899
1-[(5-chloro-2-methylphenyl)methyl]-3-[(3-chlorophenyl)methyl]urea
CID 42609411
1-[(2,4-dichlorophenoxy)methyl]-3-[(2-methylphenyl)methyl]urea
CID 108881154
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 8693460
N-[(4-chlorophenyl)methyl]-2-fluoro-3-methylbenzamide
CID 80718402

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[(2-methylphenyl)methyl]urea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[(2-methylphenyl)methyl]urea (CID 108897128) is 1-[(4-chlorophenyl)methyl]-3-[(2-methylphenyl)methyl]urea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-[(2-methylphenyl)methyl]urea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-[(2-methylphenyl)methyl]urea is Cc1ccccc1CNC(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-[(2-methylphenyl)methyl]urea?
The InChIKey is NIWKYHHQUAHRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-12-4-2-3-5-14(12)11-19-16(20)18-10-13-6-8-15(17)9-7-13/h2-9H,10-11H2,1H3,(H2,18,19,20).
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-[(2-methylphenyl)methyl]urea?
1-[(4-chlorophenyl)methyl]-3-[(2-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-[(4-chlorophenyl)methyl]-3-[(2-methylphenyl)methyl]urea is sourced from PubChem (CID 108897128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).