1-benzyl-3-[1-[(4-chlorophenyl)methyl]cyclobutyl]-1-methylurea

C20H23ClN2O — CID 166317860

IUPAC1-benzyl-3-[1-[(4-chlorophenyl)methyl]cyclobutyl]-1-methylurea
SMILESCN(Cc1ccccc1)C(=O)NC1(Cc2ccc(Cl)cc2)CCC1
InChIInChI=1S/C20H23ClN2O/c1-23(15-17-6-3-2-4-7-17)19(24)22-20(12-5-13-20)14-16-8-10-18(21)11-9-16/h2-4,6-11H,5,12-15H2,1H3,(H,22,24)
InChIKeyBSRGSBNILGWDEB-UHFFFAOYSA-N
MW342.87 g/mol
LogP4.65
Rot. Bonds5

About 1-benzyl-3-[1-[(4-chlorophenyl)methyl]cyclobutyl]-1-methylurea

1-benzyl-3-[1-[(4-chlorophenyl)methyl]cyclobutyl]-1-methylurea (PubChem CID 166317860) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is 1-benzyl-3-[1-[(4-chlorophenyl)methyl]cyclobutyl]-1-methylurea.

Molecular Properties

Compound Name1-benzyl-3-[1-[(4-chlorophenyl)methyl]cyclobutyl]-1-methylurea
PubChem CID166317860
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC Name1-benzyl-3-[1-[(4-chlorophenyl)methyl]cyclobutyl]-1-methylurea
SMILESCN(Cc1ccccc1)C(=O)NC1(Cc2ccc(Cl)cc2)CCC1
InChIInChI=1S/C20H23ClN2O/c1-23(15-17-6-3-2-4-7-17)19(24)22-20(12-5-13-20)14-16-8-10-18(21)11-9-16/h2-4,6-11H,5,12-15H2,1H3,(H,22,24)
InChIKeyBSRGSBNILGWDEB-UHFFFAOYSA-N
XLogP4.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[[benzyl(methyl)carbamoyl]amino]-N-[1-(4-chlorophenyl)cyclobutyl]propanamide
CID 56581609
3-[1-[(4-chlorophenyl)methyl]cyclopropyl]-1-(4-fluorophenyl)-1-methylurea
CID 166317920
3-[[1-[(4-chlorophenyl)methyl]cyclobutyl]carbamoylamino]propanoic acid
CID 122018940
2-[[(4-chlorophenyl)methyl-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 64817880
(1-benzylcyclopentyl)urea
CID 86790395
1-benzyl-3-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-1-methylurea
CID 41200260
N-(1-benzylcyclohexyl)-2-phenylacetamide
CID 84509764
1-amino-N-[(4-chlorophenyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 60938892
3-[(4-chlorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62231249
3-[[benzyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64889091
1-benzyl-3-(4-chlorophenyl)-1,3-dimethylurea
CID 102087600
1-[(4-chlorophenyl)methyl]-1,3-dimethyl-3-phenylurea
CID 580681

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[1-[(4-chlorophenyl)methyl]cyclobutyl]-1-methylurea?
The IUPAC name of 1-benzyl-3-[1-[(4-chlorophenyl)methyl]cyclobutyl]-1-methylurea (CID 166317860) is 1-benzyl-3-[1-[(4-chlorophenyl)methyl]cyclobutyl]-1-methylurea.
What is the SMILES notation for 1-benzyl-3-[1-[(4-chlorophenyl)methyl]cyclobutyl]-1-methylurea?
The canonical SMILES for 1-benzyl-3-[1-[(4-chlorophenyl)methyl]cyclobutyl]-1-methylurea is CN(Cc1ccccc1)C(=O)NC1(Cc2ccc(Cl)cc2)CCC1.
What is the InChIKey of 1-benzyl-3-[1-[(4-chlorophenyl)methyl]cyclobutyl]-1-methylurea?
The InChIKey is BSRGSBNILGWDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O/c1-23(15-17-6-3-2-4-7-17)19(24)22-20(12-5-13-20)14-16-8-10-18(21)11-9-16/h2-4,6-11H,5,12-15H2,1H3,(H,22,24).
What are the key properties of 1-benzyl-3-[1-[(4-chlorophenyl)methyl]cyclobutyl]-1-methylurea?
1-benzyl-3-[1-[(4-chlorophenyl)methyl]cyclobutyl]-1-methylurea has a molecular weight of 342.87 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[1-[(4-chlorophenyl)methyl]cyclobutyl]-1-methylurea is sourced from PubChem (CID 166317860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).