2-(3-chloro-4-fluoroanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide

C12H11ClFN3O2 — CID 31678260

IUPAC2-(3-chloro-4-fluoroanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(NC(=O)CNc2ccc(F)c(Cl)c2)on1
InChIInChI=1S/C12H11ClFN3O2/c1-7-4-12(19-17-7)16-11(18)6-15-8-2-3-10(14)9(13)5-8/h2-5,15H,6H2,1H3,(H,16,18)
InChIKeyDRMZXMQYSSDFPU-UHFFFAOYSA-N
MW283.69 g/mol
LogP2.83
Rot. Bonds4

About 2-(3-chloro-4-fluoroanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide

2-(3-chloro-4-fluoroanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide (PubChem CID 31678260) has the molecular formula C12H11ClFN3O2 and a molecular weight of 283.69 g/mol. Its IUPAC name is 2-(3-chloro-4-fluoroanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluoroanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
PubChem CID31678260
Molecular FormulaC12H11ClFN3O2
Molecular Weight283.69 g/mol
Exact Mass283.05
IUPAC Name2-(3-chloro-4-fluoroanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(NC(=O)CNc2ccc(F)c(Cl)c2)on1
InChIInChI=1S/C12H11ClFN3O2/c1-7-4-12(19-17-7)16-11(18)6-15-8-2-3-10(14)9(13)5-8/h2-5,15H,6H2,1H3,(H,16,18)
InChIKeyDRMZXMQYSSDFPU-UHFFFAOYSA-N
XLogP2.83
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.69
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluoroanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 31673888
2-(4-bromoanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 16624216
2-(3-chloro-4-fluoroanilino)-N-(2,4-dichlorophenyl)acetamide
CID 26437681
2-(3-chloro-4-fluoroanilino)-N-[4-(dimethylamino)phenyl]acetamide
CID 109008699
2-(3-chloro-4-fluoroanilino)-N-(2-chloro-4-methylphenyl)acetamide
CID 9099592
N-butan-2-yl-4-[[2-(3-chloro-4-fluoroanilino)acetyl]amino]benzamide
CID 54818355
2-(3-chloro-4-fluoroanilino)-N-(3-fluorophenyl)acetamide
CID 9099614
2-(4-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 9079945
2-(3-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 9084520
N-(4-chlorophenyl)-2-(3,4-dichloroanilino)acetamide
CID 29294726
2-[5-chloro-2-(2,2,2-trifluoroethoxy)anilino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 31697715
N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108955334

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluoroanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of 2-(3-chloro-4-fluoroanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide (CID 31678260) is 2-(3-chloro-4-fluoroanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for 2-(3-chloro-4-fluoroanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for 2-(3-chloro-4-fluoroanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide is Cc1cc(NC(=O)CNc2ccc(F)c(Cl)c2)on1.
What is the InChIKey of 2-(3-chloro-4-fluoroanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The InChIKey is DRMZXMQYSSDFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O2/c1-7-4-12(19-17-7)16-11(18)6-15-8-2-3-10(14)9(13)5-8/h2-5,15H,6H2,1H3,(H,16,18).
What are the key properties of 2-(3-chloro-4-fluoroanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
2-(3-chloro-4-fluoroanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide has a molecular weight of 283.69 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluoroanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 31678260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).