3-fluoro-4-methyl-N-[2-[[4-(2-oxo-1,3-oxazolidin-3-yl)benzoyl]amino]ethyl]benzamide

C20H20FN3O4 — CID 55688065

IUPAC3-fluoro-4-methyl-N-[2-[[4-(2-oxo-1,3-oxazolidin-3-yl)benzoyl]amino]ethyl]benzamide
SMILESCc1ccc(C(=O)NCCNC(=O)c2ccc(N3CCOC3=O)cc2)cc1F
InChIInChI=1S/C20H20FN3O4/c1-13-2-3-15(12-17(13)21)19(26)23-9-8-22-18(25)14-4-6-16(7-5-14)24-10-11-28-20(24)27/h2-7,12H,8-11H2,1H3,(H,22,25)(H,23,26)
InChIKeyKYQGHAQOXVQSGX-UHFFFAOYSA-N
MW385.40 g/mol
LogP2.25
Rot. Bonds6

About 3-fluoro-4-methyl-N-[2-[[4-(2-oxo-1,3-oxazolidin-3-yl)benzoyl]amino]ethyl]benzamide

3-fluoro-4-methyl-N-[2-[[4-(2-oxo-1,3-oxazolidin-3-yl)benzoyl]amino]ethyl]benzamide (PubChem CID 55688065) has the molecular formula C20H20FN3O4 and a molecular weight of 385.40 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-[2-[[4-(2-oxo-1,3-oxazolidin-3-yl)benzoyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-[2-[[4-(2-oxo-1,3-oxazolidin-3-yl)benzoyl]amino]ethyl]benzamide
PubChem CID55688065
Molecular FormulaC20H20FN3O4
Molecular Weight385.40 g/mol
Exact Mass385.14
IUPAC Name3-fluoro-4-methyl-N-[2-[[4-(2-oxo-1,3-oxazolidin-3-yl)benzoyl]amino]ethyl]benzamide
SMILESCc1ccc(C(=O)NCCNC(=O)c2ccc(N3CCOC3=O)cc2)cc1F
InChIInChI=1S/C20H20FN3O4/c1-13-2-3-15(12-17(13)21)19(26)23-9-8-22-18(25)14-4-6-16(7-5-14)24-10-11-28-20(24)27/h2-7,12H,8-11H2,1H3,(H,22,25)(H,23,26)
InChIKeyKYQGHAQOXVQSGX-UHFFFAOYSA-N
XLogP2.25
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,4-dimethyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzamide
CID 110363407
N-[2-(cyclopropylamino)ethyl]-3-fluoro-4-methylbenzamide
CID 62664386
[3-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl]carbamic acid
CID 155319958
ethane;3-fluoro-N-(2-fluoroethyl)-4-methylbenzamide
CID 144686533
N-[2-[2-[(3-fluoro-4-methylbenzoyl)amino]ethylcarbamoylamino]ethyl]furan-3-carboxamide
CID 47071758
3-fluoro-N-[2-[(3-fluorobenzoyl)amino]ethyl]-4-methylbenzamide
CID 33319896
2,6-difluoro-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]benzamide
CID 90551302
3-fluoro-4-methyl-N-[2-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]ethyl]benzamide
CID 55545871
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-fluoro-4-methylbenzamide
CID 17450089
N-[2-(cyclopropylcarbamoylamino)ethyl]-3-fluoro-4-methylbenzamide
CID 36508254
3-fluoro-4-methyl-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]benzamide
CID 122321616
3-fluoro-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 17467075

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N-[2-[[4-(2-oxo-1,3-oxazolidin-3-yl)benzoyl]amino]ethyl]benzamide?
The IUPAC name of 3-fluoro-4-methyl-N-[2-[[4-(2-oxo-1,3-oxazolidin-3-yl)benzoyl]amino]ethyl]benzamide (CID 55688065) is 3-fluoro-4-methyl-N-[2-[[4-(2-oxo-1,3-oxazolidin-3-yl)benzoyl]amino]ethyl]benzamide.
What is the SMILES notation for 3-fluoro-4-methyl-N-[2-[[4-(2-oxo-1,3-oxazolidin-3-yl)benzoyl]amino]ethyl]benzamide?
The canonical SMILES for 3-fluoro-4-methyl-N-[2-[[4-(2-oxo-1,3-oxazolidin-3-yl)benzoyl]amino]ethyl]benzamide is Cc1ccc(C(=O)NCCNC(=O)c2ccc(N3CCOC3=O)cc2)cc1F.
What is the InChIKey of 3-fluoro-4-methyl-N-[2-[[4-(2-oxo-1,3-oxazolidin-3-yl)benzoyl]amino]ethyl]benzamide?
The InChIKey is KYQGHAQOXVQSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O4/c1-13-2-3-15(12-17(13)21)19(26)23-9-8-22-18(25)14-4-6-16(7-5-14)24-10-11-28-20(24)27/h2-7,12H,8-11H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 3-fluoro-4-methyl-N-[2-[[4-(2-oxo-1,3-oxazolidin-3-yl)benzoyl]amino]ethyl]benzamide?
3-fluoro-4-methyl-N-[2-[[4-(2-oxo-1,3-oxazolidin-3-yl)benzoyl]amino]ethyl]benzamide has a molecular weight of 385.40 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-N-[2-[[4-(2-oxo-1,3-oxazolidin-3-yl)benzoyl]amino]ethyl]benzamide is sourced from PubChem (CID 55688065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).