N-(2-fluoro-5-nitrophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide

C16H12FN3O5 — CID 60528345

IUPACN-(2-fluoro-5-nitrophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1F)c1cccc(N2CCOC2=O)c1
InChIInChI=1S/C16H12FN3O5/c17-13-5-4-12(20(23)24)9-14(13)18-15(21)10-2-1-3-11(8-10)19-6-7-25-16(19)22/h1-5,8-9H,6-7H2,(H,18,21)
InChIKeyFWRMDPNRXVMOIF-UHFFFAOYSA-N
MW345.29 g/mol
LogP2.94
Rot. Bonds4

About N-(2-fluoro-5-nitrophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide

N-(2-fluoro-5-nitrophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide (PubChem CID 60528345) has the molecular formula C16H12FN3O5 and a molecular weight of 345.29 g/mol. Its IUPAC name is N-(2-fluoro-5-nitrophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide.

Molecular Properties

Compound NameN-(2-fluoro-5-nitrophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide
PubChem CID60528345
Molecular FormulaC16H12FN3O5
Molecular Weight345.29 g/mol
Exact Mass345.08
IUPAC NameN-(2-fluoro-5-nitrophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1F)c1cccc(N2CCOC2=O)c1
InChIInChI=1S/C16H12FN3O5/c17-13-5-4-12(20(23)24)9-14(13)18-15(21)10-2-1-3-11(8-10)19-6-7-25-16(19)22/h1-5,8-9H,6-7H2,(H,18,21)
InChIKeyFWRMDPNRXVMOIF-UHFFFAOYSA-N
XLogP2.94
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.29
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-benzamido-N-(2-fluoro-5-nitrophenyl)benzamide
CID 1300799
3-(azepan-1-ylsulfonyl)-N-(2-fluoro-5-nitrophenyl)benzamide
CID 2370710
N-(2-methoxy-5-nitrophenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 55394131
3-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 17342490
N-(2-fluoro-5-nitrophenyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 60528421
N-(2-fluoro-5-nitrophenyl)-4-(trifluoromethyl)benzamide
CID 18190863
N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 60611515
N-(2-fluoro-5-nitrophenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 18267838
N-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]quinoline-4-carboxamide
CID 60576249
6-amino-N-(2-fluoro-5-nitrophenyl)pyridine-3-carboxamide
CID 62155644
N-(2-fluoro-5-nitrophenyl)-2-methylpyrazole-3-carboxamide
CID 157051605
6-fluoro-N-(2-fluoro-5-nitrophenyl)pyridine-2-carboxamide
CID 115496793

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-nitrophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide?
The IUPAC name of N-(2-fluoro-5-nitrophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide (CID 60528345) is N-(2-fluoro-5-nitrophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide.
What is the SMILES notation for N-(2-fluoro-5-nitrophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide?
The canonical SMILES for N-(2-fluoro-5-nitrophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide is O=C(Nc1cc([N+](=O)[O-])ccc1F)c1cccc(N2CCOC2=O)c1.
What is the InChIKey of N-(2-fluoro-5-nitrophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide?
The InChIKey is FWRMDPNRXVMOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O5/c17-13-5-4-12(20(23)24)9-14(13)18-15(21)10-2-1-3-11(8-10)19-6-7-25-16(19)22/h1-5,8-9H,6-7H2,(H,18,21).
What are the key properties of N-(2-fluoro-5-nitrophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide?
N-(2-fluoro-5-nitrophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide has a molecular weight of 345.29 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-nitrophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide is sourced from PubChem (CID 60528345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).