N-[1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-3-methylbenzamide

C17H15FN2O2 — CID 136522257

IUPACN-[1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2CN(c3ccc(F)cc3)C2=O)c1
InChIInChI=1S/C17H15FN2O2/c1-11-3-2-4-12(9-11)16(21)19-15-10-20(17(15)22)14-7-5-13(18)6-8-14/h2-9,15H,10H2,1H3,(H,19,21)
InChIKeyNJQMXVRYITZJFN-UHFFFAOYSA-N
MW298.32 g/mol
LogP2.28
Rot. Bonds3

About N-[1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-3-methylbenzamide

N-[1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-3-methylbenzamide (PubChem CID 136522257) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-3-methylbenzamide
PubChem CID136522257
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC NameN-[1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2CN(c3ccc(F)cc3)C2=O)c1
InChIInChI=1S/C17H15FN2O2/c1-11-3-2-4-12(9-11)16(21)19-15-10-20(17(15)22)14-7-5-13(18)6-8-14/h2-9,15H,10H2,1H3,(H,19,21)
InChIKeyNJQMXVRYITZJFN-UHFFFAOYSA-N
XLogP2.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 164634853
3-fluoro-4-iodo-N-[(3R)-2-oxo-1-phenylazetidin-3-yl]benzamide
CID 97350110
3-fluoro-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547228
N-(azetidin-3-yl)-3-methylbenzamide
CID 66186058
N-[(3R)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-5-methoxy-1,3-dimethylpyrazole-4-carboxamide
CID 129447704
N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-methylbenzamide
CID 7547623
1-[(3S)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-3-(2-methoxyphenyl)urea
CID 97352613
3-chloro-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7563634
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-methylbenzamide
CID 42266695
3,5-dimethyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95234364
N-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]-3-methylbenzamide
CID 53118380
N-[(5S,6S)-5-(4-fluorophenyl)-3-methyl-7-oxo-1,2,8-triazatricyclo[6.3.1.04,12]dodeca-2,4(12)-dien-6-yl]-3-methylbenzamide;sulfane
CID 167635701

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-3-methylbenzamide?
The IUPAC name of N-[1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-3-methylbenzamide (CID 136522257) is N-[1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-3-methylbenzamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-3-methylbenzamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-3-methylbenzamide is Cc1cccc(C(=O)NC2CN(c3ccc(F)cc3)C2=O)c1.
What is the InChIKey of N-[1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-3-methylbenzamide?
The InChIKey is NJQMXVRYITZJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-11-3-2-4-12(9-11)16(21)19-15-10-20(17(15)22)14-7-5-13(18)6-8-14/h2-9,15H,10H2,1H3,(H,19,21).
What are the key properties of N-[1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-3-methylbenzamide?
N-[1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-3-methylbenzamide has a molecular weight of 298.32 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-3-methylbenzamide is sourced from PubChem (CID 136522257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).