(2R)-N-cyclohexyl-1-(4-fluorophenyl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-oxoazetidine-2-carboxamide

C25H27FN2O3 — CID 1469478

IUPAC(2R)-N-cyclohexyl-1-(4-fluorophenyl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-oxoazetidine-2-carboxamide
SMILESCOc1ccccc1/C=C/[C@@]1(C(=O)NC2CCCCC2)CC(=O)N1c1ccc(F)cc1
InChIInChI=1S/C25H27FN2O3/c1-31-22-10-6-5-7-18(22)15-16-25(24(30)27-20-8-3-2-4-9-20)17-23(29)28(25)21-13-11-19(26)12-14-21/h5-7,10-16,20H,2-4,8-9,17H2,1H3,(H,27,30)/b16-15+/t25-/m0/s1
InChIKeyJAJJLSXHOSJMOU-DACFSCGWSA-N
MW422.50 g/mol
LogP4.47
Rot. Bonds6

About (2R)-N-cyclohexyl-1-(4-fluorophenyl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-oxoazetidine-2-carboxamide

(2R)-N-cyclohexyl-1-(4-fluorophenyl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-oxoazetidine-2-carboxamide (PubChem CID 1469478) has the molecular formula C25H27FN2O3 and a molecular weight of 422.50 g/mol. Its IUPAC name is (2R)-N-cyclohexyl-1-(4-fluorophenyl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-oxoazetidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-cyclohexyl-1-(4-fluorophenyl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-oxoazetidine-2-carboxamide
PubChem CID1469478
Molecular FormulaC25H27FN2O3
Molecular Weight422.50 g/mol
Exact Mass422.20
IUPAC Name(2R)-N-cyclohexyl-1-(4-fluorophenyl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-oxoazetidine-2-carboxamide
SMILESCOc1ccccc1/C=C/[C@@]1(C(=O)NC2CCCCC2)CC(=O)N1c1ccc(F)cc1
InChIInChI=1S/C25H27FN2O3/c1-31-22-10-6-5-7-18(22)15-16-25(24(30)27-20-8-3-2-4-9-20)17-23(29)28(25)21-13-11-19(26)12-14-21/h5-7,10-16,20H,2-4,8-9,17H2,1H3,(H,27,30)/b16-15+/t25-/m0/s1
InChIKeyJAJJLSXHOSJMOU-DACFSCGWSA-N
XLogP4.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-N-cyclohexyl-1-(4-fluorophenyl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-oxoazetidine-2-carboxamide with MolForge

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Related Compounds

N-cyclohexyl-1-(4-ethylphenyl)-2-[2-(2-methoxyphenyl)ethenyl]-4-oxoazetidine-2-carboxamide
CID 3219563
(2R)-N-cyclohexyl-2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-oxo-1-(4-propan-2-ylphenyl)azetidine-2-carboxamide
CID 1468017
(2S)-N-cyclohexyl-4-oxo-2-[(E)-2-phenylethenyl]-1-(4-propan-2-ylphenyl)azetidine-2-carboxamide
CID 1468011
N-cyclopentyl-4-oxo-2-(2-phenylethenyl)-1-[4-(trifluoromethyl)phenyl]azetidine-2-carboxamide
CID 3221439
N-cyclopentyl-1-(4-fluorophenyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 46247039
N-cyclohexyl-2-[3-(2-methoxyphenyl)prop-2-enoylamino]benzamide
CID 4923184
N-cyclopentyl-3-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]propanamide
CID 56823427
(E)-N-[(1S,2S)-2-hydroxycyclohexyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 104957085
(2S)-1-benzyl-N-cyclopentyl-4-oxo-2-[(E)-2-phenylethenyl]azetidine-2-carboxamide
CID 7709089
N-cyclooctyl-1-(4-fluorophenyl)-2-methyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide
CID 20909285
N-cycloheptyl-1-(4-fluorophenyl)-2-methyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide
CID 20909256
(2R)-1-(4-methoxyphenyl)-N-(2-methylphenyl)-4-oxo-2-(2-phenylethenyl)azetidine-2-carboxamide
CID 163074482

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclohexyl-1-(4-fluorophenyl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-oxoazetidine-2-carboxamide?
The IUPAC name of (2R)-N-cyclohexyl-1-(4-fluorophenyl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-oxoazetidine-2-carboxamide (CID 1469478) is (2R)-N-cyclohexyl-1-(4-fluorophenyl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-oxoazetidine-2-carboxamide.
What is the SMILES notation for (2R)-N-cyclohexyl-1-(4-fluorophenyl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-oxoazetidine-2-carboxamide?
The canonical SMILES for (2R)-N-cyclohexyl-1-(4-fluorophenyl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-oxoazetidine-2-carboxamide is COc1ccccc1/C=C/[C@@]1(C(=O)NC2CCCCC2)CC(=O)N1c1ccc(F)cc1.
What is the InChIKey of (2R)-N-cyclohexyl-1-(4-fluorophenyl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-oxoazetidine-2-carboxamide?
The InChIKey is JAJJLSXHOSJMOU-DACFSCGWSA-N. The full InChI is InChI=1S/C25H27FN2O3/c1-31-22-10-6-5-7-18(22)15-16-25(24(30)27-20-8-3-2-4-9-20)17-23(29)28(25)21-13-11-19(26)12-14-21/h5-7,10-16,20H,2-4,8-9,17H2,1H3,(H,27,30)/b16-15+/t25-/m0/s1.
What are the key properties of (2R)-N-cyclohexyl-1-(4-fluorophenyl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-oxoazetidine-2-carboxamide?
(2R)-N-cyclohexyl-1-(4-fluorophenyl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-oxoazetidine-2-carboxamide has a molecular weight of 422.50 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclohexyl-1-(4-fluorophenyl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-oxoazetidine-2-carboxamide is sourced from PubChem (CID 1469478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).