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

C16H17ClN2O — CID 47192222

IUPAC1-[(2-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)NCc2ccccc2Cl)cc1C
InChIInChI=1S/C16H17ClN2O/c1-11-7-8-14(9-12(11)2)19-16(20)18-10-13-5-3-4-6-15(13)17/h3-9H,10H2,1-2H3,(H2,18,19,20)
InChIKeyZHUZEKSGZUWNLF-UHFFFAOYSA-N
MW288.78 g/mol
LogP4.28
Rot. Bonds3

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

1-[(2-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)urea (PubChem CID 47192222) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)urea.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)urea
PubChem CID47192222
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name1-[(2-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)NCc2ccccc2Cl)cc1C
InChIInChI=1S/C16H17ClN2O/c1-11-7-8-14(9-12(11)2)19-16(20)18-10-13-5-3-4-6-15(13)17/h3-9H,10H2,1-2H3,(H2,18,19,20)
InChIKeyZHUZEKSGZUWNLF-UHFFFAOYSA-N
XLogP4.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chlorophenyl)methyl]-N'-(3,4-dimethylphenyl)propanediamide
CID 108946594
1-[(2-chlorophenyl)methyl]-3-(2-methylphenyl)urea
CID 6468848
1-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]urea
CID 727865
N-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide
CID 2679540
ethyl N-[4-[(2-chlorophenyl)methylcarbamoylamino]phenyl]carbamate
CID 47039627
1-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)urea
CID 6469547
1-(1,3-benzodioxol-5-yl)-3-[(2-chlorophenyl)methyl]urea
CID 35524616
N'-(4-bromo-3-methylphenyl)-N-[(2-chlorophenyl)methyl]propanediamide
CID 108946659
3-[(2-chlorophenyl)methylcarbamoylamino]benzoic acid
CID 61192540
1-(3-chloro-4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 38158814
[4-[(2-chlorophenyl)methylcarbamoyl]oxan-4-yl]methyl N-(3,4-dimethylphenyl)carbamate
CID 59778602
1-(3-chloro-4-methylphenyl)-3-[[2-(difluoromethoxy)phenyl]methyl]urea
CID 24612567

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)urea?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)urea (CID 47192222) is 1-[(2-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)urea.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)urea?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)urea is Cc1ccc(NC(=O)NCc2ccccc2Cl)cc1C.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)urea?
The InChIKey is ZHUZEKSGZUWNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-11-7-8-14(9-12(11)2)19-16(20)18-10-13-5-3-4-6-15(13)17/h3-9H,10H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-[(2-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)urea?
1-[(2-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)urea has a molecular weight of 288.78 g/mol, XLogP of 4.28, 3 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-(3,4-dimethylphenyl)urea is sourced from PubChem (CID 47192222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).