1-(3-chloro-2-methylphenyl)-3-[[1-(methoxymethyl)cyclobutyl]methyl]urea

C15H21ClN2O2 — CID 131926247

IUPAC1-(3-chloro-2-methylphenyl)-3-[[1-(methoxymethyl)cyclobutyl]methyl]urea
SMILESCOCC1(CNC(=O)Nc2cccc(Cl)c2C)CCC1
InChIInChI=1S/C15H21ClN2O2/c1-11-12(16)5-3-6-13(11)18-14(19)17-9-15(10-20-2)7-4-8-15/h3,5-6H,4,7-10H2,1-2H3,(H2,17,18,19)
InChIKeyFILRGTSRTBFZEY-UHFFFAOYSA-N
MW296.80 g/mol
LogP3.59
Rot. Bonds5

About 1-(3-chloro-2-methylphenyl)-3-[[1-(methoxymethyl)cyclobutyl]methyl]urea

1-(3-chloro-2-methylphenyl)-3-[[1-(methoxymethyl)cyclobutyl]methyl]urea (PubChem CID 131926247) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-3-[[1-(methoxymethyl)cyclobutyl]methyl]urea.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-3-[[1-(methoxymethyl)cyclobutyl]methyl]urea
PubChem CID131926247
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name1-(3-chloro-2-methylphenyl)-3-[[1-(methoxymethyl)cyclobutyl]methyl]urea
SMILESCOCC1(CNC(=O)Nc2cccc(Cl)c2C)CCC1
InChIInChI=1S/C15H21ClN2O2/c1-11-12(16)5-3-6-13(11)18-14(19)17-9-15(10-20-2)7-4-8-15/h3,5-6H,4,7-10H2,1-2H3,(H2,17,18,19)
InChIKeyFILRGTSRTBFZEY-UHFFFAOYSA-N
XLogP3.59
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-methylphenyl)-3-(2-methoxyethoxymethyl)urea
CID 108894261
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
2-(2-chlorophenyl)-2-hydroxy-N-[[1-(methoxymethyl)cyclopentyl]methyl]acetamide
CID 91765732
2-(1-aminocyclopentyl)-N-(3-chloro-2-methylphenyl)acetamide
CID 64686310
1-(3-chloro-2-methoxyphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103686
2-chloro-N-[[1-(methoxymethyl)cyclopentyl]methyl]-3-methylbenzamide
CID 91774714
1-(3-chloro-2-methylphenyl)-3-[(3-methoxyphenyl)methyl]urea
CID 108898298
1-(2-chloro-3-methylphenyl)-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea
CID 71968263
2-methoxy-N-[3-[[1-(methoxymethyl)cyclopentyl]methylcarbamoylamino]-4-methylphenyl]acetamide
CID 118766082
1-(3-chloro-2-methylphenyl)-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea
CID 112975702
1-(3-chloro-2-methylphenyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 108896725
1-(3-chloro-2-methylphenyl)-3-[2-(4-chlorophenyl)ethyl]urea
CID 108891823

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-3-[[1-(methoxymethyl)cyclobutyl]methyl]urea?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-3-[[1-(methoxymethyl)cyclobutyl]methyl]urea (CID 131926247) is 1-(3-chloro-2-methylphenyl)-3-[[1-(methoxymethyl)cyclobutyl]methyl]urea.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-3-[[1-(methoxymethyl)cyclobutyl]methyl]urea?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-3-[[1-(methoxymethyl)cyclobutyl]methyl]urea is COCC1(CNC(=O)Nc2cccc(Cl)c2C)CCC1.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-3-[[1-(methoxymethyl)cyclobutyl]methyl]urea?
The InChIKey is FILRGTSRTBFZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-11-12(16)5-3-6-13(11)18-14(19)17-9-15(10-20-2)7-4-8-15/h3,5-6H,4,7-10H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-(3-chloro-2-methylphenyl)-3-[[1-(methoxymethyl)cyclobutyl]methyl]urea?
1-(3-chloro-2-methylphenyl)-3-[[1-(methoxymethyl)cyclobutyl]methyl]urea has a molecular weight of 296.80 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-3-[[1-(methoxymethyl)cyclobutyl]methyl]urea is sourced from PubChem (CID 131926247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).