1-[3-(4-chlorophenyl)cyclobutyl]-3-(3-phenylbutyl)urea

C21H25ClN2O — CID 166369476

IUPAC1-[3-(4-chlorophenyl)cyclobutyl]-3-(3-phenylbutyl)urea
SMILESCC(CCNC(=O)NC1CC(c2ccc(Cl)cc2)C1)c1ccccc1
InChIInChI=1S/C21H25ClN2O/c1-15(16-5-3-2-4-6-16)11-12-23-21(25)24-20-13-18(14-20)17-7-9-19(22)10-8-17/h2-10,15,18,20H,11-14H2,1H3,(H2,23,24,25)
InChIKeyWNZGRNHMVLHBFH-UHFFFAOYSA-N
MW356.90 g/mol
LogP5.08
Rot. Bonds6

About 1-[3-(4-chlorophenyl)cyclobutyl]-3-(3-phenylbutyl)urea

1-[3-(4-chlorophenyl)cyclobutyl]-3-(3-phenylbutyl)urea (PubChem CID 166369476) has the molecular formula C21H25ClN2O and a molecular weight of 356.90 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)cyclobutyl]-3-(3-phenylbutyl)urea.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)cyclobutyl]-3-(3-phenylbutyl)urea
PubChem CID166369476
Molecular FormulaC21H25ClN2O
Molecular Weight356.90 g/mol
Exact Mass356.17
IUPAC Name1-[3-(4-chlorophenyl)cyclobutyl]-3-(3-phenylbutyl)urea
SMILESCC(CCNC(=O)NC1CC(c2ccc(Cl)cc2)C1)c1ccccc1
InChIInChI=1S/C21H25ClN2O/c1-15(16-5-3-2-4-6-16)11-12-23-21(25)24-20-13-18(14-20)17-7-9-19(22)10-8-17/h2-10,15,18,20H,11-14H2,1H3,(H2,23,24,25)
InChIKeyWNZGRNHMVLHBFH-UHFFFAOYSA-N
XLogP5.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.90
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(4-chlorophenyl)cyclobutyl]-3-[1-(2-phenylcyclopropyl)ethyl]urea
CID 166369745
N-[2-[[(3S)-3-phenylbutyl]carbamoylamino]ethyl]acetamide
CID 125145755
ethyl 4-(3-phenylbutylcarbamoylamino)piperidine-1-carboxylate
CID 60614184
1-[(3S)-3-phenylbutyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 52511655
1-[3-(4-chlorophenyl)cyclobutyl]-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-ylmethyl)urea
CID 166369650
1-butyl-3-(3-phenylbutyl)urea
CID 115600283
1-[[3-(4-chlorophenyl)cyclobutyl]methyl]-3-[3-(2-fluorophenyl)cyclobutyl]urea
CID 166369688
3-[[benzyl(methyl)carbamoyl]amino]-N-[3-(4-chlorophenyl)cyclobutyl]propanamide
CID 166222378
N-(3-phenylbutyl)benzamide
CID 62403316
1-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-3-[(3S)-3-phenylbutyl]urea
CID 95622136
2-methyl-N-(3-phenylcyclobutyl)propanamide
CID 166834731
(2S)-3-hydroxy-2-(3-phenylbutylcarbamoylamino)propanoic acid
CID 62989102

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)cyclobutyl]-3-(3-phenylbutyl)urea?
The IUPAC name of 1-[3-(4-chlorophenyl)cyclobutyl]-3-(3-phenylbutyl)urea (CID 166369476) is 1-[3-(4-chlorophenyl)cyclobutyl]-3-(3-phenylbutyl)urea.
What is the SMILES notation for 1-[3-(4-chlorophenyl)cyclobutyl]-3-(3-phenylbutyl)urea?
The canonical SMILES for 1-[3-(4-chlorophenyl)cyclobutyl]-3-(3-phenylbutyl)urea is CC(CCNC(=O)NC1CC(c2ccc(Cl)cc2)C1)c1ccccc1.
What is the InChIKey of 1-[3-(4-chlorophenyl)cyclobutyl]-3-(3-phenylbutyl)urea?
The InChIKey is WNZGRNHMVLHBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O/c1-15(16-5-3-2-4-6-16)11-12-23-21(25)24-20-13-18(14-20)17-7-9-19(22)10-8-17/h2-10,15,18,20H,11-14H2,1H3,(H2,23,24,25).
What are the key properties of 1-[3-(4-chlorophenyl)cyclobutyl]-3-(3-phenylbutyl)urea?
1-[3-(4-chlorophenyl)cyclobutyl]-3-(3-phenylbutyl)urea has a molecular weight of 356.90 g/mol, XLogP of 5.08, 6 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-(3-phenylbutyl)urea is sourced from PubChem (CID 166369476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).