2-chloro-4,5-difluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide

C11H7ClF2N2O2 — CID 686793

IUPAC2-chloro-4,5-difluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2cc(F)c(F)cc2Cl)no1
InChIInChI=1S/C11H7ClF2N2O2/c1-5-2-10(16-18-5)15-11(17)6-3-8(13)9(14)4-7(6)12/h2-4H,1H3,(H,15,16,17)
InChIKeyZZSCWBQWLHDVTP-UHFFFAOYSA-N
MW272.64 g/mol
LogP3.17
Rot. Bonds2

About 2-chloro-4,5-difluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide

2-chloro-4,5-difluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide (PubChem CID 686793) has the molecular formula C11H7ClF2N2O2 and a molecular weight of 272.64 g/mol. Its IUPAC name is 2-chloro-4,5-difluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide.

Molecular Properties

Compound Name2-chloro-4,5-difluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide
PubChem CID686793
Molecular FormulaC11H7ClF2N2O2
Molecular Weight272.64 g/mol
Exact Mass272.02
IUPAC Name2-chloro-4,5-difluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2cc(F)c(F)cc2Cl)no1
InChIInChI=1S/C11H7ClF2N2O2/c1-5-2-10(16-18-5)15-11(17)6-3-8(13)9(14)4-7(6)12/h2-4H,1H3,(H,15,16,17)
InChIKeyZZSCWBQWLHDVTP-UHFFFAOYSA-N
XLogP3.17
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.64
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2,4-Dichloro-N-(5-methyl-3-isoxazolyl)benzamide
CID 670270
Benzamide, N-(5-methyl-3-isoxazolyl)-
CID 569560
2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-5-nitrobenzamide
CID 694855
4-chloro-N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide
CID 739409
2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-4-nitrobenzamide
CID 739526
2-methyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 840302
N-(4-bromo-5-methylisoxazol-3-yl)-N'-(2-chloro-6-fluorobenzoyl)urea
CID 2799364
2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 3099031
3-(2-chlorophenyl)-N-(5-methyl-3-isoxazolyl)acrylamide
CID 885080
4-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 2292954
2,3,4,5,6-Pentafluoro-N-(5-methyl-3-isoxazolyl)benzamide
CID 606787
3-chloro-N-(1,2-oxazol-3-yl)benzamide
CID 1247464

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-difluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The IUPAC name of 2-chloro-4,5-difluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide (CID 686793) is 2-chloro-4,5-difluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide.
What is the SMILES notation for 2-chloro-4,5-difluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The canonical SMILES for 2-chloro-4,5-difluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide is Cc1cc(NC(=O)c2cc(F)c(F)cc2Cl)no1.
What is the InChIKey of 2-chloro-4,5-difluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The InChIKey is ZZSCWBQWLHDVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF2N2O2/c1-5-2-10(16-18-5)15-11(17)6-3-8(13)9(14)4-7(6)12/h2-4H,1H3,(H,15,16,17).
What are the key properties of 2-chloro-4,5-difluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
2-chloro-4,5-difluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide has a molecular weight of 272.64 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-difluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide is sourced from PubChem (CID 686793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).