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

C16H16Cl2N2O — CID 24528577

IUPAC3-(3,4-dichlorophenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea
SMILESCc1ccccc1CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H16Cl2N2O/c1-11-5-3-4-6-12(11)10-20(2)16(21)19-13-7-8-14(17)15(18)9-13/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyIXWMWXSNWKDGAG-UHFFFAOYSA-N
MW323.22 g/mol
LogP4.97
Rot. Bonds3

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

3-(3,4-dichlorophenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea (PubChem CID 24528577) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea
PubChem CID24528577
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC Name3-(3,4-dichlorophenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea
SMILESCc1ccccc1CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H16Cl2N2O/c1-11-5-3-4-6-12(11)10-20(2)16(21)19-13-7-8-14(17)15(18)9-13/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyIXWMWXSNWKDGAG-UHFFFAOYSA-N
XLogP4.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3,4-dichlorophenyl)-1-[(2-fluorophenyl)methyl]-1-methylurea
CID 24528585
N-[3-[[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]phenyl]acetamide
CID 86987874
1-methyl-1-[(2-methylphenyl)methyl]-3-naphthalen-2-ylurea
CID 78871918
3-(3-chloro-4-methylphenyl)-1-[(2-fluorophenyl)methyl]-1-methylurea
CID 2476713
3-(3,5-difluorophenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea
CID 86988105
1,3-dimethyl-1-[(2-methylphenyl)methyl]urea
CID 23563161
3-(3,4-dichlorophenyl)-1-methyl-1-(methylsulfanylmethyl)urea
CID 21414071
3-(3,4-dichlorophenyl)-1-methyl-1-(2-methylpropyl)urea
CID 47278262
3-(3-chloro-2-methoxyphenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea
CID 86837941
3-(3,4-dichlorophenyl)-1-(3-hydroxypropyl)-1-methylurea
CID 114230641
2-[(3,4-dichlorophenyl)carbamoyl-methylamino]-N-(4-methylphenyl)acetamide
CID 27869715
1-(3,4-dichlorophenyl)-3-(2-methylphenyl)urea
CID 769282

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea?
The IUPAC name of 3-(3,4-dichlorophenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea (CID 24528577) is 3-(3,4-dichlorophenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea?
The canonical SMILES for 3-(3,4-dichlorophenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea is Cc1ccccc1CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea?
The InChIKey is IXWMWXSNWKDGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c1-11-5-3-4-6-12(11)10-20(2)16(21)19-13-7-8-14(17)15(18)9-13/h3-9H,10H2,1-2H3,(H,19,21).
What are the key properties of 3-(3,4-dichlorophenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea?
3-(3,4-dichlorophenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea has a molecular weight of 323.22 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea is sourced from PubChem (CID 24528577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).