N,1-bis(4-chlorophenyl)-4-oxo-2-phenylazetidine-2-carboxamide

C22H16Cl2N2O2 — CID 4552745

IUPACN,1-bis(4-chlorophenyl)-4-oxo-2-phenylazetidine-2-carboxamide
SMILESO=C1CC(C(=O)Nc2ccc(Cl)cc2)(c2ccccc2)N1c1ccc(Cl)cc1
InChIInChI=1S/C22H16Cl2N2O2/c23-16-6-10-18(11-7-16)25-21(28)22(15-4-2-1-3-5-15)14-20(27)26(22)19-12-8-17(24)9-13-19/h1-13H,14H2,(H,25,28)
InChIKeyHXBGGXSVXPZZHS-UHFFFAOYSA-N
MW411.29 g/mol
LogP5.26
Rot. Bonds4

About N,1-bis(4-chlorophenyl)-4-oxo-2-phenylazetidine-2-carboxamide

N,1-bis(4-chlorophenyl)-4-oxo-2-phenylazetidine-2-carboxamide (PubChem CID 4552745) has the molecular formula C22H16Cl2N2O2 and a molecular weight of 411.29 g/mol. Its IUPAC name is N,1-bis(4-chlorophenyl)-4-oxo-2-phenylazetidine-2-carboxamide.

Molecular Properties

Compound NameN,1-bis(4-chlorophenyl)-4-oxo-2-phenylazetidine-2-carboxamide
PubChem CID4552745
Molecular FormulaC22H16Cl2N2O2
Molecular Weight411.29 g/mol
Exact Mass410.06
IUPAC NameN,1-bis(4-chlorophenyl)-4-oxo-2-phenylazetidine-2-carboxamide
SMILESO=C1CC(C(=O)Nc2ccc(Cl)cc2)(c2ccccc2)N1c1ccc(Cl)cc1
InChIInChI=1S/C22H16Cl2N2O2/c23-16-6-10-18(11-7-16)25-21(28)22(15-4-2-1-3-5-15)14-20(27)26(22)19-12-8-17(24)9-13-19/h1-13H,14H2,(H,25,28)
InChIKeyHXBGGXSVXPZZHS-UHFFFAOYSA-N
XLogP5.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.29
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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,1-bis(4-chlorophenyl)-4-oxo-2-(1-phenylprop-1-en-2-yl)azetidine-2-carboxamide
CID 3738849
(2R)-1-(4-methoxyphenyl)-N-(2-methylphenyl)-4-oxo-2-phenylazetidine-2-carboxamide
CID 7693726
ethyl 4-[[1-(4-ethoxycarbonylphenyl)-2-(4-methylphenyl)-4-oxoazetidine-2-carbonyl]amino]benzoate
CID 3803032
N,1-bis(2-fluorophenyl)-4-oxo-2-phenylazetidine-2-carboxamide
CID 3756747
N-(4-chlorophenyl)-1-phenylcyclopent-3-ene-1-carboxamide
CID 155818871
2-(2-methyl-1H-indol-3-yl)-N,1-bis(4-methylphenyl)-4-oxoazetidine-2-carboxamide
CID 3251424
2-(4-acetamidophenyl)-N-(4-chlorophenyl)-1-methyl-3-oxo-4H-pyrido[1,2-a]pyrazin-5-ium-1-carboxamide
CID 46257175
N,1-bis(3-chlorophenyl)-2-(furan-2-yl)-4-oxoazetidine-2-carboxamide
CID 5190317
2-(4-acetamidophenyl)-N-(4-chlorophenyl)-1-methyl-3-oxo-4H-pyrido[1,2-a]pyrazin-5-ium-1-carboxamide iodide
CID 126460299
1-(4-chlorophenyl)-N-phenylcyclopentane-1-carboxamide
CID 22236982

Frequently Asked Questions

What is the IUPAC name of N,1-bis(4-chlorophenyl)-4-oxo-2-phenylazetidine-2-carboxamide?
The IUPAC name of N,1-bis(4-chlorophenyl)-4-oxo-2-phenylazetidine-2-carboxamide (CID 4552745) is N,1-bis(4-chlorophenyl)-4-oxo-2-phenylazetidine-2-carboxamide.
What is the SMILES notation for N,1-bis(4-chlorophenyl)-4-oxo-2-phenylazetidine-2-carboxamide?
The canonical SMILES for N,1-bis(4-chlorophenyl)-4-oxo-2-phenylazetidine-2-carboxamide is O=C1CC(C(=O)Nc2ccc(Cl)cc2)(c2ccccc2)N1c1ccc(Cl)cc1.
What is the InChIKey of N,1-bis(4-chlorophenyl)-4-oxo-2-phenylazetidine-2-carboxamide?
The InChIKey is HXBGGXSVXPZZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N2O2/c23-16-6-10-18(11-7-16)25-21(28)22(15-4-2-1-3-5-15)14-20(27)26(22)19-12-8-17(24)9-13-19/h1-13H,14H2,(H,25,28).
What are the key properties of N,1-bis(4-chlorophenyl)-4-oxo-2-phenylazetidine-2-carboxamide?
N,1-bis(4-chlorophenyl)-4-oxo-2-phenylazetidine-2-carboxamide has a molecular weight of 411.29 g/mol, XLogP of 5.26, 4 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-phenylazetidine-2-carboxamide is sourced from PubChem (CID 4552745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).