N,1-bis(4-chlorophenyl)-4-oxo-2-(1-phenylprop-1-en-2-yl)azetidine-2-carboxamide

C25H20Cl2N2O2 — CID 3738849

IUPACN,1-bis(4-chlorophenyl)-4-oxo-2-(1-phenylprop-1-en-2-yl)azetidine-2-carboxamide
SMILESCC(=Cc1ccccc1)C1(C(=O)Nc2ccc(Cl)cc2)CC(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C25H20Cl2N2O2/c1-17(15-18-5-3-2-4-6-18)25(24(31)28-21-11-7-19(26)8-12-21)16-23(30)29(25)22-13-9-20(27)10-14-22/h2-15H,16H2,1H3,(H,28,31)
InChIKeyLRBLNNZOKFDAOY-UHFFFAOYSA-N
MW451.35 g/mol
LogP6.21
Rot. Bonds5

About N,1-bis(4-chlorophenyl)-4-oxo-2-(1-phenylprop-1-en-2-yl)azetidine-2-carboxamide

N,1-bis(4-chlorophenyl)-4-oxo-2-(1-phenylprop-1-en-2-yl)azetidine-2-carboxamide (PubChem CID 3738849) has the molecular formula C25H20Cl2N2O2 and a molecular weight of 451.35 g/mol. Its IUPAC name is N,1-bis(4-chlorophenyl)-4-oxo-2-(1-phenylprop-1-en-2-yl)azetidine-2-carboxamide.

Molecular Properties

Compound NameN,1-bis(4-chlorophenyl)-4-oxo-2-(1-phenylprop-1-en-2-yl)azetidine-2-carboxamide
PubChem CID3738849
Molecular FormulaC25H20Cl2N2O2
Molecular Weight451.35 g/mol
Exact Mass450.09
IUPAC NameN,1-bis(4-chlorophenyl)-4-oxo-2-(1-phenylprop-1-en-2-yl)azetidine-2-carboxamide
SMILESCC(=Cc1ccccc1)C1(C(=O)Nc2ccc(Cl)cc2)CC(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C25H20Cl2N2O2/c1-17(15-18-5-3-2-4-6-18)25(24(31)28-21-11-7-19(26)8-12-21)16-23(30)29(25)22-13-9-20(27)10-14-22/h2-15H,16H2,1H3,(H,28,31)
InChIKeyLRBLNNZOKFDAOY-UHFFFAOYSA-N
XLogP6.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.35
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,1-bis(1,3-benzodioxol-5-yl)-4-oxo-2-(1-phenylprop-1-en-2-yl)azetidine-2-carboxamide
CID 3710994
N,1-bis(4-chlorophenyl)-4-oxo-2-phenylazetidine-2-carboxamide
CID 4552745
2-(4-acetamidophenyl)-N-(4-chlorophenyl)-1-methyl-3-oxo-4H-pyrido[1,2-a]pyrazin-5-ium-1-carboxamide
CID 46257175
2-(4-acetamidophenyl)-N-(4-chlorophenyl)-1-methyl-3-oxo-4H-pyrido[1,2-a]pyrazin-5-ium-1-carboxamide iodide
CID 126460299
N,1-bis(4-chlorophenyl)-2-(2-methyl-1H-indol-3-yl)-4-oxoazetidine-2-carboxamide
CID 3625796
2-(2-chlorophenyl)-N,1-bis(4-methylphenyl)-4-oxoazetidine-2-carboxamide
CID 3809536
N-(4-chlorophenyl)-2-(3,4-dimethylphenyl)-1-methyl-3-oxo-4H-pyrido[1,2-a]pyrazin-5-ium-1-carboxamide
CID 46257173
N-(4-chlorophenyl)-2-[(4Z)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16632725
(E)-2-methyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-phenylprop-2-enamide
CID 110425854
N-(4-chlorophenyl)-2-[5-(2-methyl-3-phenylprop-2-enylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide
CID 4760431
N-(4-chlorophenyl)-1-phenylcyclopent-3-ene-1-carboxamide
CID 155818871
(Z)-3-(4-chloroanilino)-1-phenylbut-2-en-1-one
CID 5408006

Frequently Asked Questions

What is the IUPAC name of N,1-bis(4-chlorophenyl)-4-oxo-2-(1-phenylprop-1-en-2-yl)azetidine-2-carboxamide?
The IUPAC name of N,1-bis(4-chlorophenyl)-4-oxo-2-(1-phenylprop-1-en-2-yl)azetidine-2-carboxamide (CID 3738849) is N,1-bis(4-chlorophenyl)-4-oxo-2-(1-phenylprop-1-en-2-yl)azetidine-2-carboxamide.
What is the SMILES notation for N,1-bis(4-chlorophenyl)-4-oxo-2-(1-phenylprop-1-en-2-yl)azetidine-2-carboxamide?
The canonical SMILES for N,1-bis(4-chlorophenyl)-4-oxo-2-(1-phenylprop-1-en-2-yl)azetidine-2-carboxamide is CC(=Cc1ccccc1)C1(C(=O)Nc2ccc(Cl)cc2)CC(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of N,1-bis(4-chlorophenyl)-4-oxo-2-(1-phenylprop-1-en-2-yl)azetidine-2-carboxamide?
The InChIKey is LRBLNNZOKFDAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2N2O2/c1-17(15-18-5-3-2-4-6-18)25(24(31)28-21-11-7-19(26)8-12-21)16-23(30)29(25)22-13-9-20(27)10-14-22/h2-15H,16H2,1H3,(H,28,31).
What are the key properties of N,1-bis(4-chlorophenyl)-4-oxo-2-(1-phenylprop-1-en-2-yl)azetidine-2-carboxamide?
N,1-bis(4-chlorophenyl)-4-oxo-2-(1-phenylprop-1-en-2-yl)azetidine-2-carboxamide has a molecular weight of 451.35 g/mol, XLogP of 6.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-bis(4-chlorophenyl)-4-oxo-2-(1-phenylprop-1-en-2-yl)azetidine-2-carboxamide is sourced from PubChem (CID 3738849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).