1-[3-(4-chlorophenyl)cyclobutyl]-3-[1-(2-phenylcyclopropyl)ethyl]urea

C22H25ClN2O — CID 166369745

IUPAC1-[3-(4-chlorophenyl)cyclobutyl]-3-[1-(2-phenylcyclopropyl)ethyl]urea
SMILESCC(NC(=O)NC1CC(c2ccc(Cl)cc2)C1)C1CC1c1ccccc1
InChIInChI=1S/C22H25ClN2O/c1-14(20-13-21(20)16-5-3-2-4-6-16)24-22(26)25-19-11-17(12-19)15-7-9-18(23)10-8-15/h2-10,14,17,19-21H,11-13H2,1H3,(H2,24,25,26)
InChIKeyLHQDCEQZYKNGEU-UHFFFAOYSA-N
MW368.91 g/mol
LogP5.08
Rot. Bonds5

About 1-[3-(4-chlorophenyl)cyclobutyl]-3-[1-(2-phenylcyclopropyl)ethyl]urea

1-[3-(4-chlorophenyl)cyclobutyl]-3-[1-(2-phenylcyclopropyl)ethyl]urea (PubChem CID 166369745) has the molecular formula C22H25ClN2O and a molecular weight of 368.91 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)cyclobutyl]-3-[1-(2-phenylcyclopropyl)ethyl]urea.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)cyclobutyl]-3-[1-(2-phenylcyclopropyl)ethyl]urea
PubChem CID166369745
Molecular FormulaC22H25ClN2O
Molecular Weight368.91 g/mol
Exact Mass368.17
IUPAC Name1-[3-(4-chlorophenyl)cyclobutyl]-3-[1-(2-phenylcyclopropyl)ethyl]urea
SMILESCC(NC(=O)NC1CC(c2ccc(Cl)cc2)C1)C1CC1c1ccccc1
InChIInChI=1S/C22H25ClN2O/c1-14(20-13-21(20)16-5-3-2-4-6-16)24-22(26)25-19-11-17(12-19)15-7-9-18(23)10-8-15/h2-10,14,17,19-21H,11-13H2,1H3,(H2,24,25,26)
InChIKeyLHQDCEQZYKNGEU-UHFFFAOYSA-N
XLogP5.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.91
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(4-chlorophenyl)cyclobutyl]-3-(3-phenylbutyl)urea
CID 166369476
2-methyl-N-(3-phenylcyclobutyl)propanamide
CID 166834731
1-[(2R)-1-methoxybutan-2-yl]-3-(3-phenylcyclobutyl)urea
CID 125140738
1-[3-(4-chlorophenyl)cyclobutyl]-3-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)urea
CID 136585897
1-[3-(4-chlorophenyl)cyclobutyl]-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-ylmethyl)urea
CID 166369650
1-chloro-4-(2-phenylcyclopropyl)benzene
CID 5162571
2-[[3-(4-chlorophenyl)cyclobutyl]amino]acetic acid
CID 43635160
3-ethyl-5-methyl-N-[(1R)-1-[(1R,2R)-2-phenylcyclopropyl]ethyl]-1,2-oxazole-4-carboxamide
CID 124732366
1-[[3-(4-chlorophenyl)cyclobutyl]methyl]-3-[3-(2-fluorophenyl)cyclobutyl]urea
CID 166369688
3-(4-chlorophenyl)-N-(1-cyclobutylethyl)cyclobutan-1-amine
CID 104530462
N-[3-(4-chlorophenyl)cyclobutyl]-5-methyl-1,3,4-thiadiazole-2-carboxamide
CID 129479993
3-(4-chlorophenyl)-N-(1-methylsulfanylpropan-2-yl)cyclobutan-1-amine
CID 104530256

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)cyclobutyl]-3-[1-(2-phenylcyclopropyl)ethyl]urea?
The IUPAC name of 1-[3-(4-chlorophenyl)cyclobutyl]-3-[1-(2-phenylcyclopropyl)ethyl]urea (CID 166369745) is 1-[3-(4-chlorophenyl)cyclobutyl]-3-[1-(2-phenylcyclopropyl)ethyl]urea.
What is the SMILES notation for 1-[3-(4-chlorophenyl)cyclobutyl]-3-[1-(2-phenylcyclopropyl)ethyl]urea?
The canonical SMILES for 1-[3-(4-chlorophenyl)cyclobutyl]-3-[1-(2-phenylcyclopropyl)ethyl]urea is CC(NC(=O)NC1CC(c2ccc(Cl)cc2)C1)C1CC1c1ccccc1.
What is the InChIKey of 1-[3-(4-chlorophenyl)cyclobutyl]-3-[1-(2-phenylcyclopropyl)ethyl]urea?
The InChIKey is LHQDCEQZYKNGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O/c1-14(20-13-21(20)16-5-3-2-4-6-16)24-22(26)25-19-11-17(12-19)15-7-9-18(23)10-8-15/h2-10,14,17,19-21H,11-13H2,1H3,(H2,24,25,26).
What are the key properties of 1-[3-(4-chlorophenyl)cyclobutyl]-3-[1-(2-phenylcyclopropyl)ethyl]urea?
1-[3-(4-chlorophenyl)cyclobutyl]-3-[1-(2-phenylcyclopropyl)ethyl]urea has a molecular weight of 368.91 g/mol, XLogP of 5.08, 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]-3-[1-(2-phenylcyclopropyl)ethyl]urea is sourced from PubChem (CID 166369745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).