N-cyclohexyl-2-(2-fluorophenyl)-1-(4-methylphenyl)-4-oxoazetidine-2-carboxamide

C23H25FN2O2 — CID 3689410

IUPACN-cyclohexyl-2-(2-fluorophenyl)-1-(4-methylphenyl)-4-oxoazetidine-2-carboxamide
SMILESCc1ccc(N2C(=O)CC2(C(=O)NC2CCCCC2)c2ccccc2F)cc1
InChIInChI=1S/C23H25FN2O2/c1-16-11-13-18(14-12-16)26-21(27)15-23(26,19-9-5-6-10-20(19)24)22(28)25-17-7-3-2-4-8-17/h5-6,9-14,17H,2-4,7-8,15H2,1H3,(H,25,28)
InChIKeyXIKMVOMHZPUSOB-UHFFFAOYSA-N
MW380.46 g/mol
LogP4.22
Rot. Bonds4

About N-cyclohexyl-2-(2-fluorophenyl)-1-(4-methylphenyl)-4-oxoazetidine-2-carboxamide

N-cyclohexyl-2-(2-fluorophenyl)-1-(4-methylphenyl)-4-oxoazetidine-2-carboxamide (PubChem CID 3689410) has the molecular formula C23H25FN2O2 and a molecular weight of 380.46 g/mol. Its IUPAC name is N-cyclohexyl-2-(2-fluorophenyl)-1-(4-methylphenyl)-4-oxoazetidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(2-fluorophenyl)-1-(4-methylphenyl)-4-oxoazetidine-2-carboxamide
PubChem CID3689410
Molecular FormulaC23H25FN2O2
Molecular Weight380.46 g/mol
Exact Mass380.19
IUPAC NameN-cyclohexyl-2-(2-fluorophenyl)-1-(4-methylphenyl)-4-oxoazetidine-2-carboxamide
SMILESCc1ccc(N2C(=O)CC2(C(=O)NC2CCCCC2)c2ccccc2F)cc1
InChIInChI=1S/C23H25FN2O2/c1-16-11-13-18(14-12-16)26-21(27)15-23(26,19-9-5-6-10-20(19)24)22(28)25-17-7-3-2-4-8-17/h5-6,9-14,17H,2-4,7-8,15H2,1H3,(H,25,28)
InChIKeyXIKMVOMHZPUSOB-UHFFFAOYSA-N
XLogP4.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(2-fluorophenyl)-1-(4-methylphenyl)-4-oxoazetidine-2-carboxamide?
The IUPAC name of N-cyclohexyl-2-(2-fluorophenyl)-1-(4-methylphenyl)-4-oxoazetidine-2-carboxamide (CID 3689410) is N-cyclohexyl-2-(2-fluorophenyl)-1-(4-methylphenyl)-4-oxoazetidine-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-(2-fluorophenyl)-1-(4-methylphenyl)-4-oxoazetidine-2-carboxamide?
The canonical SMILES for N-cyclohexyl-2-(2-fluorophenyl)-1-(4-methylphenyl)-4-oxoazetidine-2-carboxamide is Cc1ccc(N2C(=O)CC2(C(=O)NC2CCCCC2)c2ccccc2F)cc1.
What is the InChIKey of N-cyclohexyl-2-(2-fluorophenyl)-1-(4-methylphenyl)-4-oxoazetidine-2-carboxamide?
The InChIKey is XIKMVOMHZPUSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O2/c1-16-11-13-18(14-12-16)26-21(27)15-23(26,19-9-5-6-10-20(19)24)22(28)25-17-7-3-2-4-8-17/h5-6,9-14,17H,2-4,7-8,15H2,1H3,(H,25,28).
What are the key properties of N-cyclohexyl-2-(2-fluorophenyl)-1-(4-methylphenyl)-4-oxoazetidine-2-carboxamide?
N-cyclohexyl-2-(2-fluorophenyl)-1-(4-methylphenyl)-4-oxoazetidine-2-carboxamide has a molecular weight of 380.46 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(2-fluorophenyl)-1-(4-methylphenyl)-4-oxoazetidine-2-carboxamide is sourced from PubChem (CID 3689410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).