4-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-N',N'-dimethylbenzohydrazide

C18H18FN3O3 — CID 142694832

IUPAC4-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-N',N'-dimethylbenzohydrazide
SMILESCN(C)NC(=O)c1ccc(-c2ccc(N3CCOC3=O)cc2F)cc1
InChIInChI=1S/C18H18FN3O3/c1-21(2)20-17(23)13-5-3-12(4-6-13)15-8-7-14(11-16(15)19)22-9-10-25-18(22)24/h3-8,11H,9-10H2,1-2H3,(H,20,23)
InChIKeyUFXXDBUUNSHJNO-UHFFFAOYSA-N
MW343.36 g/mol
LogP2.66
Rot. Bonds4

About 4-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-N',N'-dimethylbenzohydrazide

4-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-N',N'-dimethylbenzohydrazide (PubChem CID 142694832) has the molecular formula C18H18FN3O3 and a molecular weight of 343.36 g/mol. Its IUPAC name is 4-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-N',N'-dimethylbenzohydrazide.

Molecular Properties

Compound Name4-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-N',N'-dimethylbenzohydrazide
PubChem CID142694832
Molecular FormulaC18H18FN3O3
Molecular Weight343.36 g/mol
Exact Mass343.13
IUPAC Name4-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-N',N'-dimethylbenzohydrazide
SMILESCN(C)NC(=O)c1ccc(-c2ccc(N3CCOC3=O)cc2F)cc1
InChIInChI=1S/C18H18FN3O3/c1-21(2)20-17(23)13-5-3-12(4-6-13)15-8-7-14(11-16(15)19)22-9-10-25-18(22)24/h3-8,11H,9-10H2,1-2H3,(H,20,23)
InChIKeyUFXXDBUUNSHJNO-UHFFFAOYSA-N
XLogP2.66
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzoate
CID 142694824
3-fluoro-4-methyl-N-[2-[[4-(2-oxo-1,3-oxazolidin-3-yl)benzoyl]amino]ethyl]benzamide
CID 55688065
3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-2-one;methanesulfonic acid
CID 158400380
3-[4-(2-amino-1,3-oxazol-4-yl)-3-fluorophenyl]-1,3-oxazolidin-2-one
CID 18980579
tert-butyl 2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)benzoate
CID 141011533
3-(3-bromo-4-fluorophenyl)-1,3-oxazolidin-2-one
CID 104779667
2-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethylidene]propanedinitrile
CID 141213401
N,N-diethyl-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 52587818
4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-cyanobenzamide
CID 74381893
4-[4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]benzamide
CID 158273364
3,4-dimethyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzamide
CID 110363407
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 55684611

Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-N',N'-dimethylbenzohydrazide?
The IUPAC name of 4-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-N',N'-dimethylbenzohydrazide (CID 142694832) is 4-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-N',N'-dimethylbenzohydrazide.
What is the SMILES notation for 4-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-N',N'-dimethylbenzohydrazide?
The canonical SMILES for 4-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-N',N'-dimethylbenzohydrazide is CN(C)NC(=O)c1ccc(-c2ccc(N3CCOC3=O)cc2F)cc1.
What is the InChIKey of 4-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-N',N'-dimethylbenzohydrazide?
The InChIKey is UFXXDBUUNSHJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3/c1-21(2)20-17(23)13-5-3-12(4-6-13)15-8-7-14(11-16(15)19)22-9-10-25-18(22)24/h3-8,11H,9-10H2,1-2H3,(H,20,23).
What are the key properties of 4-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-N',N'-dimethylbenzohydrazide?
4-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-N',N'-dimethylbenzohydrazide has a molecular weight of 343.36 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-N',N'-dimethylbenzohydrazide is sourced from PubChem (CID 142694832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).