1-(3-chlorophenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]cyclobutane-1-carboxamide

C23H27ClN2O2 — CID 48664321

IUPAC1-(3-chlorophenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]cyclobutane-1-carboxamide
SMILESCC(NC(=O)C1(c2cccc(Cl)c2)CCC1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H27ClN2O2/c1-17(18-6-8-21(9-7-18)26-12-14-28-15-13-26)25-22(27)23(10-3-11-23)19-4-2-5-20(24)16-19/h2,4-9,16-17H,3,10-15H2,1H3,(H,25,27)
InChIKeyXWSPUZUDXZZEDE-UHFFFAOYSA-N
MW398.93 g/mol
LogP4.48
Rot. Bonds5

About 1-(3-chlorophenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]cyclobutane-1-carboxamide

1-(3-chlorophenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]cyclobutane-1-carboxamide (PubChem CID 48664321) has the molecular formula C23H27ClN2O2 and a molecular weight of 398.93 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]cyclobutane-1-carboxamide
PubChem CID48664321
Molecular FormulaC23H27ClN2O2
Molecular Weight398.93 g/mol
Exact Mass398.18
IUPAC Name1-(3-chlorophenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]cyclobutane-1-carboxamide
SMILESCC(NC(=O)C1(c2cccc(Cl)c2)CCC1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H27ClN2O2/c1-17(18-6-8-21(9-7-18)26-12-14-28-15-13-26)25-22(27)23(10-3-11-23)19-4-2-5-20(24)16-19/h2,4-9,16-17H,3,10-15H2,1H3,(H,25,27)
InChIKeyXWSPUZUDXZZEDE-UHFFFAOYSA-N
XLogP4.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.93
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-(3-methylphenyl)-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide
CID 92614110
1-(3-chlorophenyl)-N-(1-pyridin-4-ylethyl)cyclohexane-1-carboxamide
CID 78844552
4-(4-methoxyphenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide
CID 46977488
4-(2-fluorophenyl)-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide
CID 92614088
N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-1-phenylcyclopentane-1-carboxamide
CID 100688576
N-[1-(3-chlorophenyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 46541078
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-(3-chlorophenyl)cyclopentane-1-carboxamide
CID 47798035
N-[(2S)-1-aminopropan-2-yl]-4-(3-chlorophenyl)oxane-4-carboxamide;hydrochloride
CID 120507442
1-(3-chlorophenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclopentane-1-carboxamide
CID 95049720
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide
CID 26071120
4-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]oxane-4-carboxamide
CID 115295227
1-(3-chlorophenyl)-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]cyclobutane-1-carboxamide
CID 86951201

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]cyclobutane-1-carboxamide (CID 48664321) is 1-(3-chlorophenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]cyclobutane-1-carboxamide is CC(NC(=O)C1(c2cccc(Cl)c2)CCC1)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]cyclobutane-1-carboxamide?
The InChIKey is XWSPUZUDXZZEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O2/c1-17(18-6-8-21(9-7-18)26-12-14-28-15-13-26)25-22(27)23(10-3-11-23)19-4-2-5-20(24)16-19/h2,4-9,16-17H,3,10-15H2,1H3,(H,25,27).
What are the key properties of 1-(3-chlorophenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]cyclobutane-1-carboxamide?
1-(3-chlorophenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]cyclobutane-1-carboxamide has a molecular weight of 398.93 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 48664321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).