N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide

C21H19F2N3O4 — CID 42989993

IUPACN-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
SMILESCc1noc(C)c1COc1ccccc1C(=O)NCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C21H19F2N3O4/c1-12-16(13(2)30-26-12)11-29-19-6-4-3-5-15(19)21(28)24-10-20(27)25-14-7-8-17(22)18(23)9-14/h3-9H,10-11H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyOQWZQOWQXPOVPY-UHFFFAOYSA-N
MW415.40 g/mol
LogP3.52
Rot. Bonds7

About N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide

N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide (PubChem CID 42989993) has the molecular formula C21H19F2N3O4 and a molecular weight of 415.40 g/mol. Its IUPAC name is N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
PubChem CID42989993
Molecular FormulaC21H19F2N3O4
Molecular Weight415.40 g/mol
Exact Mass415.13
IUPAC NameN-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
SMILESCc1noc(C)c1COc1ccccc1C(=O)NCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C21H19F2N3O4/c1-12-16(13(2)30-26-12)11-29-19-6-4-3-5-15(19)21(28)24-10-20(27)25-14-7-8-17(22)18(23)9-14/h3-9H,10-11H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyOQWZQOWQXPOVPY-UHFFFAOYSA-N
XLogP3.52
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.40
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide with MolForge

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Related Compounds

N-(3-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 9465498
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-pyridin-4-ylbenzamide
CID 35828889
N-(2-acetamidoethyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 43006676
N-(3-bromophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 36900169
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-prop-2-enylbenzamide
CID 30533521
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(hydroxymethyl)phenyl]benzamide
CID 112766562
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 35892647
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 36743406
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methylbenzamide
CID 17395084
N-(3-butoxypropyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 30544768
N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 4841213
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-nitrophenyl)benzamide
CID 36859413

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The IUPAC name of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide (CID 42989993) is N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide.
What is the SMILES notation for N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The canonical SMILES for N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide is Cc1noc(C)c1COc1ccccc1C(=O)NCC(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The InChIKey is OQWZQOWQXPOVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O4/c1-12-16(13(2)30-26-12)11-29-19-6-4-3-5-15(19)21(28)24-10-20(27)25-14-7-8-17(22)18(23)9-14/h3-9H,10-11H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide has a molecular weight of 415.40 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide is sourced from PubChem (CID 42989993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).