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

C22H16F2N2O2 — CID 3756747

IUPACN,1-bis(2-fluorophenyl)-4-oxo-2-phenylazetidine-2-carboxamide
SMILESO=C1CC(C(=O)Nc2ccccc2F)(c2ccccc2)N1c1ccccc1F
InChIInChI=1S/C22H16F2N2O2/c23-16-10-4-6-12-18(16)25-21(28)22(15-8-2-1-3-9-15)14-20(27)26(22)19-13-7-5-11-17(19)24/h1-13H,14H2,(H,25,28)
InChIKeyCNEVYBAUNXHOIL-UHFFFAOYSA-N
MW378.38 g/mol
LogP4.24
Rot. Bonds4

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

N,1-bis(2-fluorophenyl)-4-oxo-2-phenylazetidine-2-carboxamide (PubChem CID 3756747) has the molecular formula C22H16F2N2O2 and a molecular weight of 378.38 g/mol. Its IUPAC name is N,1-bis(2-fluorophenyl)-4-oxo-2-phenylazetidine-2-carboxamide.

Molecular Properties

Compound NameN,1-bis(2-fluorophenyl)-4-oxo-2-phenylazetidine-2-carboxamide
PubChem CID3756747
Molecular FormulaC22H16F2N2O2
Molecular Weight378.38 g/mol
Exact Mass378.12
IUPAC NameN,1-bis(2-fluorophenyl)-4-oxo-2-phenylazetidine-2-carboxamide
SMILESO=C1CC(C(=O)Nc2ccccc2F)(c2ccccc2)N1c1ccccc1F
InChIInChI=1S/C22H16F2N2O2/c23-16-10-4-6-12-18(16)25-21(28)22(15-8-2-1-3-9-15)14-20(27)26(22)19-13-7-5-11-17(19)24/h1-13H,14H2,(H,25,28)
InChIKeyCNEVYBAUNXHOIL-UHFFFAOYSA-N
XLogP4.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,1-bis(2-fluorophenyl)-2-(4-fluorophenyl)-4-oxoazetidine-2-carboxamide
CID 3803037
N,1-bis(2-fluorophenyl)-2-(4-methylphenyl)-4-oxoazetidine-2-carboxamide
CID 3582201
(2R)-1-(4-methoxyphenyl)-N-(2-methylphenyl)-4-oxo-2-phenylazetidine-2-carboxamide
CID 7693726
(2R)-N-(2-methylphenyl)-4-oxo-1-phenyl-2-(4-propan-2-ylphenyl)azetidine-2-carboxamide
CID 7693230
(2R)-N-(2-fluorophenyl)-2-(trifluoromethyl)oxirane-2-carboxamide
CID 87995082
N,1-bis(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-4-oxoazetidine-2-carboxamide
CID 3733169
1-(3-bromophenyl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 134062088
(2,5-dioxopyrrolidin-1-yl) N-(2-fluorophenyl)carbamate
CID 71383197
(3R)-N-(2-fluorophenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 829970
N,1-bis(2-fluorophenyl)piperidine-4-carboxamide
CID 17152573
(5S)-N-(2-fluorophenyl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 95051970
N,1-bis(2,5-dimethoxyphenyl)-4-oxo-2-pyridin-3-ylazetidine-2-carboxamide
CID 3797071

Frequently Asked Questions

What is the IUPAC name of N,1-bis(2-fluorophenyl)-4-oxo-2-phenylazetidine-2-carboxamide?
The IUPAC name of N,1-bis(2-fluorophenyl)-4-oxo-2-phenylazetidine-2-carboxamide (CID 3756747) is N,1-bis(2-fluorophenyl)-4-oxo-2-phenylazetidine-2-carboxamide.
What is the SMILES notation for N,1-bis(2-fluorophenyl)-4-oxo-2-phenylazetidine-2-carboxamide?
The canonical SMILES for N,1-bis(2-fluorophenyl)-4-oxo-2-phenylazetidine-2-carboxamide is O=C1CC(C(=O)Nc2ccccc2F)(c2ccccc2)N1c1ccccc1F.
What is the InChIKey of N,1-bis(2-fluorophenyl)-4-oxo-2-phenylazetidine-2-carboxamide?
The InChIKey is CNEVYBAUNXHOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N2O2/c23-16-10-4-6-12-18(16)25-21(28)22(15-8-2-1-3-9-15)14-20(27)26(22)19-13-7-5-11-17(19)24/h1-13H,14H2,(H,25,28).
What are the key properties of N,1-bis(2-fluorophenyl)-4-oxo-2-phenylazetidine-2-carboxamide?
N,1-bis(2-fluorophenyl)-4-oxo-2-phenylazetidine-2-carboxamide has a molecular weight of 378.38 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-bis(2-fluorophenyl)-4-oxo-2-phenylazetidine-2-carboxamide is sourced from PubChem (CID 3756747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).