1-[[3-(4-chlorophenyl)cyclobutyl]methyl]-3-[3-(2-fluorophenyl)cyclobutyl]urea

C22H24ClFN2O — CID 166369688

IUPAC1-[[3-(4-chlorophenyl)cyclobutyl]methyl]-3-[3-(2-fluorophenyl)cyclobutyl]urea
SMILESO=C(NCC1CC(c2ccc(Cl)cc2)C1)NC1CC(c2ccccc2F)C1
InChIInChI=1S/C22H24ClFN2O/c23-18-7-5-15(6-8-18)16-9-14(10-16)13-25-22(27)26-19-11-17(12-19)20-3-1-2-4-21(20)24/h1-8,14,16-17,19H,9-13H2,(H2,25,26,27)
InChIKeyRWJRLVIIKKKZPF-UHFFFAOYSA-N
MW386.90 g/mol
LogP5.22
Rot. Bonds5

About 1-[[3-(4-chlorophenyl)cyclobutyl]methyl]-3-[3-(2-fluorophenyl)cyclobutyl]urea

1-[[3-(4-chlorophenyl)cyclobutyl]methyl]-3-[3-(2-fluorophenyl)cyclobutyl]urea (PubChem CID 166369688) has the molecular formula C22H24ClFN2O and a molecular weight of 386.90 g/mol. Its IUPAC name is 1-[[3-(4-chlorophenyl)cyclobutyl]methyl]-3-[3-(2-fluorophenyl)cyclobutyl]urea.

Molecular Properties

Compound Name1-[[3-(4-chlorophenyl)cyclobutyl]methyl]-3-[3-(2-fluorophenyl)cyclobutyl]urea
PubChem CID166369688
Molecular FormulaC22H24ClFN2O
Molecular Weight386.90 g/mol
Exact Mass386.16
IUPAC Name1-[[3-(4-chlorophenyl)cyclobutyl]methyl]-3-[3-(2-fluorophenyl)cyclobutyl]urea
SMILESO=C(NCC1CC(c2ccc(Cl)cc2)C1)NC1CC(c2ccccc2F)C1
InChIInChI=1S/C22H24ClFN2O/c23-18-7-5-15(6-8-18)16-9-14(10-16)13-25-22(27)26-19-11-17(12-19)20-3-1-2-4-21(20)24/h1-8,14,16-17,19H,9-13H2,(H2,25,26,27)
InChIKeyRWJRLVIIKKKZPF-UHFFFAOYSA-N
XLogP5.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.90
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(4-chlorophenyl)cyclobutyl]-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-ylmethyl)urea
CID 166369650
3-[[3-(2-fluorophenyl)cyclobutyl]carbamoylamino]propanoic acid
CID 122012971
4-[[3-(2-fluorophenyl)cyclobutyl]carbamoylamino]butanoic acid
CID 122012972
1-[3-(4-chlorophenyl)cyclobutyl]-3-(3-phenylbutyl)urea
CID 166369476
N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(2-fluorophenyl)cyclobutan-1-amine
CID 81349466
N-[3-(4-chlorophenyl)cyclobutyl]-2-fluoroaniline
CID 43633620
5-[[3-(2-fluorophenyl)cyclobutyl]amino]pentanamide
CID 106233343
1-[3-(4-chlorophenyl)cyclobutyl]-3-[1-(2-phenylcyclopropyl)ethyl]urea
CID 166369745
2-[[3-(4-chlorophenyl)cyclobutyl]amino]acetic acid
CID 43635160
N-[3-(4-chlorophenyl)cyclobutyl]-2-cyanoacetamide
CID 166222343
N-(cyclohexylmethyl)-3-(2-fluorophenyl)cyclobutan-1-amine
CID 43635354
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-(4-chlorophenyl)cyclobutan-1-amine
CID 60816001

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-chlorophenyl)cyclobutyl]methyl]-3-[3-(2-fluorophenyl)cyclobutyl]urea?
The IUPAC name of 1-[[3-(4-chlorophenyl)cyclobutyl]methyl]-3-[3-(2-fluorophenyl)cyclobutyl]urea (CID 166369688) is 1-[[3-(4-chlorophenyl)cyclobutyl]methyl]-3-[3-(2-fluorophenyl)cyclobutyl]urea.
What is the SMILES notation for 1-[[3-(4-chlorophenyl)cyclobutyl]methyl]-3-[3-(2-fluorophenyl)cyclobutyl]urea?
The canonical SMILES for 1-[[3-(4-chlorophenyl)cyclobutyl]methyl]-3-[3-(2-fluorophenyl)cyclobutyl]urea is O=C(NCC1CC(c2ccc(Cl)cc2)C1)NC1CC(c2ccccc2F)C1.
What is the InChIKey of 1-[[3-(4-chlorophenyl)cyclobutyl]methyl]-3-[3-(2-fluorophenyl)cyclobutyl]urea?
The InChIKey is RWJRLVIIKKKZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClFN2O/c23-18-7-5-15(6-8-18)16-9-14(10-16)13-25-22(27)26-19-11-17(12-19)20-3-1-2-4-21(20)24/h1-8,14,16-17,19H,9-13H2,(H2,25,26,27).
What are the key properties of 1-[[3-(4-chlorophenyl)cyclobutyl]methyl]-3-[3-(2-fluorophenyl)cyclobutyl]urea?
1-[[3-(4-chlorophenyl)cyclobutyl]methyl]-3-[3-(2-fluorophenyl)cyclobutyl]urea has a molecular weight of 386.90 g/mol, XLogP of 5.22, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-chlorophenyl)cyclobutyl]methyl]-3-[3-(2-fluorophenyl)cyclobutyl]urea is sourced from PubChem (CID 166369688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).