N-[2-(2,6-difluoroanilino)-2-oxoethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethylbenzamide

C23H23F2N3O4 — CID 25161960

IUPACN-[2-(2,6-difluoroanilino)-2-oxoethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethylbenzamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc(OCc2c(C)noc2C)cc1
InChIInChI=1S/C23H23F2N3O4/c1-4-28(12-21(29)26-22-19(24)6-5-7-20(22)25)23(30)16-8-10-17(11-9-16)31-13-18-14(2)27-32-15(18)3/h5-11H,4,12-13H2,1-3H3,(H,26,29)
InChIKeyCWNXQWNRNBCSMU-UHFFFAOYSA-N
MW443.45 g/mol
LogP4.25
Rot. Bonds8

About N-[2-(2,6-difluoroanilino)-2-oxoethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethylbenzamide

N-[2-(2,6-difluoroanilino)-2-oxoethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethylbenzamide (PubChem CID 25161960) has the molecular formula C23H23F2N3O4 and a molecular weight of 443.45 g/mol. Its IUPAC name is N-[2-(2,6-difluoroanilino)-2-oxoethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethylbenzamide.

Molecular Properties

Compound NameN-[2-(2,6-difluoroanilino)-2-oxoethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethylbenzamide
PubChem CID25161960
Molecular FormulaC23H23F2N3O4
Molecular Weight443.45 g/mol
Exact Mass443.17
IUPAC NameN-[2-(2,6-difluoroanilino)-2-oxoethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethylbenzamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc(OCc2c(C)noc2C)cc1
InChIInChI=1S/C23H23F2N3O4/c1-4-28(12-21(29)26-22-19(24)6-5-7-20(22)25)23(30)16-8-10-17(11-9-16)31-13-18-14(2)27-32-15(18)3/h5-11H,4,12-13H2,1-3H3,(H,26,29)
InChIKeyCWNXQWNRNBCSMU-UHFFFAOYSA-N
XLogP4.25
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.45
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-chlorophenyl)methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethylbenzamide
CID 55593852
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(methoxymethyl)benzamide
CID 38369967
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-phenylmethoxybenzamide
CID 27744494
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 31335493
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 9439699
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-hydroxyphenyl)benzamide
CID 78783407
N-[(5-chlorothiophen-2-yl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethylbenzamide
CID 9168070
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-phenylmethanone
CID 18074313
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethyl-N-(4-fluorophenyl)benzamide
CID 51198625
2-[[2-(4-bromophenoxy)acetyl]-ethylamino]-N-(2,6-difluorophenyl)acetamide
CID 26266273
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-(2,2,2-trifluoroethoxy)benzamide
CID 55607897
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-fluoro-5-methylphenyl)benzamide
CID 34233334

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethylbenzamide?
The IUPAC name of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethylbenzamide (CID 25161960) is N-[2-(2,6-difluoroanilino)-2-oxoethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethylbenzamide.
What is the SMILES notation for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethylbenzamide?
The canonical SMILES for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethylbenzamide is CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc(OCc2c(C)noc2C)cc1.
What is the InChIKey of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethylbenzamide?
The InChIKey is CWNXQWNRNBCSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N3O4/c1-4-28(12-21(29)26-22-19(24)6-5-7-20(22)25)23(30)16-8-10-17(11-9-16)31-13-18-14(2)27-32-15(18)3/h5-11H,4,12-13H2,1-3H3,(H,26,29).
What are the key properties of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethylbenzamide?
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethylbenzamide has a molecular weight of 443.45 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethylbenzamide is sourced from PubChem (CID 25161960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).