N-[[(5S)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-fluorobenzamide

C17H14ClFN2O3 — CID 40926357

IUPACN-[[(5S)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-fluorobenzamide
SMILESO=C(NC[C@H]1CN(c2cccc(Cl)c2)C(=O)O1)c1cccc(F)c1
InChIInChI=1S/C17H14ClFN2O3/c18-12-4-2-6-14(8-12)21-10-15(24-17(21)23)9-20-16(22)11-3-1-5-13(19)7-11/h1-8,15H,9-10H2,(H,20,22)/t15-/m0/s1
InChIKeyZQHTUUKPBOUZEF-HNNXBMFYSA-N
MW348.76 g/mol
LogP3.23
Rot. Bonds4

About N-[[(5S)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-fluorobenzamide

N-[[(5S)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-fluorobenzamide (PubChem CID 40926357) has the molecular formula C17H14ClFN2O3 and a molecular weight of 348.76 g/mol. Its IUPAC name is N-[[(5S)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[[(5S)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-fluorobenzamide
PubChem CID40926357
Molecular FormulaC17H14ClFN2O3
Molecular Weight348.76 g/mol
Exact Mass348.07
IUPAC NameN-[[(5S)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-fluorobenzamide
SMILESO=C(NC[C@H]1CN(c2cccc(Cl)c2)C(=O)O1)c1cccc(F)c1
InChIInChI=1S/C17H14ClFN2O3/c18-12-4-2-6-14(8-12)21-10-15(24-17(21)23)9-20-16(22)11-3-1-5-13(19)7-11/h1-8,15H,9-10H2,(H,20,22)/t15-/m0/s1
InChIKeyZQHTUUKPBOUZEF-HNNXBMFYSA-N
XLogP3.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.76
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzamide
CID 16920440
3-fluoro-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
CID 16920742
2-chloro-N-[[3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
CID 110327680
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-methoxybenzamide
CID 16921029
N-[[3-(3-chloro-4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-fluorobenzamide
CID 110328339
N-[[3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3,4-dimethylbenzamide
CID 110327662
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-methylbenzamide
CID 16921024
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 16921039
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-methylbenzamide
CID 16921022
N-[[2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]benzamide
CID 110328384
3-chloro-N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]benzamide
CID 110710353
3-fluoro-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]benzamide
CID 110725933

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-fluorobenzamide?
The IUPAC name of N-[[(5S)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-fluorobenzamide (CID 40926357) is N-[[(5S)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-fluorobenzamide.
What is the SMILES notation for N-[[(5S)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-fluorobenzamide?
The canonical SMILES for N-[[(5S)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-fluorobenzamide is O=C(NC[C@H]1CN(c2cccc(Cl)c2)C(=O)O1)c1cccc(F)c1.
What is the InChIKey of N-[[(5S)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-fluorobenzamide?
The InChIKey is ZQHTUUKPBOUZEF-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H14ClFN2O3/c18-12-4-2-6-14(8-12)21-10-15(24-17(21)23)9-20-16(22)11-3-1-5-13(19)7-11/h1-8,15H,9-10H2,(H,20,22)/t15-/m0/s1.
What are the key properties of N-[[(5S)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-fluorobenzamide?
N-[[(5S)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-fluorobenzamide has a molecular weight of 348.76 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-fluorobenzamide is sourced from PubChem (CID 40926357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).