3-(2-chloro-4-methoxyphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea

C16H18ClN3O2 — CID 86862798

IUPAC3-(2-chloro-4-methoxyphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea
SMILESCOc1ccc(NC(=O)N(C)CCc2ccccn2)c(Cl)c1
InChIInChI=1S/C16H18ClN3O2/c1-20(10-8-12-5-3-4-9-18-12)16(21)19-15-7-6-13(22-2)11-14(15)17/h3-7,9,11H,8,10H2,1-2H3,(H,19,21)
InChIKeyUIVIEEQWNPVPRK-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.45
Rot. Bonds5

About 3-(2-chloro-4-methoxyphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea

3-(2-chloro-4-methoxyphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea (PubChem CID 86862798) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is 3-(2-chloro-4-methoxyphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea.

Molecular Properties

Compound Name3-(2-chloro-4-methoxyphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea
PubChem CID86862798
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name3-(2-chloro-4-methoxyphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea
SMILESCOc1ccc(NC(=O)N(C)CCc2ccccn2)c(Cl)c1
InChIInChI=1S/C16H18ClN3O2/c1-20(10-8-12-5-3-4-9-18-12)16(21)19-15-7-6-13(22-2)11-14(15)17/h3-7,9,11H,8,10H2,1-2H3,(H,19,21)
InChIKeyUIVIEEQWNPVPRK-UHFFFAOYSA-N
XLogP3.45
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methoxyphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea
CID 16612937
2-amino-5-methoxy-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 60955120
1-(2-chloro-4-methoxyphenyl)-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea
CID 86862763
2-methoxy-N-[4-methyl-3-[[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]phenyl]acetamide
CID 72842851
3-(2-chloro-4-methoxyphenyl)-1-[2-(cyclopropylmethoxy)ethyl]-1-methylurea
CID 71972143
3-(2,6-diethylphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea
CID 86987284
N-(4-methoxyphenyl)-2-[methyl(2-pyridin-2-ylethyl)amino]acetamide
CID 17408677
N-methyl-4-phenoxy-N-(2-pyridin-2-ylethyl)benzamide
CID 78796251
1-(2-chloro-4-propan-2-yloxyphenyl)-3-(pyridin-2-ylmethyl)urea
CID 99823700
N-(2-chloro-4-methoxyphenyl)-2-(N-methylanilino)acetamide
CID 86860335
1-methyl-1-(2-pyridin-2-ylethyl)-3-[4-(triazol-2-yl)phenyl]urea
CID 86994772
ethane;N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 143678158

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-methoxyphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea?
The IUPAC name of 3-(2-chloro-4-methoxyphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea (CID 86862798) is 3-(2-chloro-4-methoxyphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea.
What is the SMILES notation for 3-(2-chloro-4-methoxyphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea?
The canonical SMILES for 3-(2-chloro-4-methoxyphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea is COc1ccc(NC(=O)N(C)CCc2ccccn2)c(Cl)c1.
What is the InChIKey of 3-(2-chloro-4-methoxyphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea?
The InChIKey is UIVIEEQWNPVPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-20(10-8-12-5-3-4-9-18-12)16(21)19-15-7-6-13(22-2)11-14(15)17/h3-7,9,11H,8,10H2,1-2H3,(H,19,21).
What are the key properties of 3-(2-chloro-4-methoxyphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea?
3-(2-chloro-4-methoxyphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea has a molecular weight of 319.79 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-methoxyphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea is sourced from PubChem (CID 86862798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).