N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-ethylpropanamide

C23H22ClF2N3O3 — CID 30137689

IUPACN-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-ethylpropanamide
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)CCc1ncc(-c2c(F)cccc2F)o1
InChIInChI=1S/C23H22ClF2N3O3/c1-3-29(13-20(30)28-18-11-15(24)8-7-14(18)2)22(31)10-9-21-27-12-19(32-21)23-16(25)5-4-6-17(23)26/h4-8,11-12H,3,9-10,13H2,1-2H3,(H,28,30)
InChIKeyBXTTTYNHVQJXBD-UHFFFAOYSA-N
MW461.90 g/mol
LogP5.00
Rot. Bonds8

About N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-ethylpropanamide

N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-ethylpropanamide (PubChem CID 30137689) has the molecular formula C23H22ClF2N3O3 and a molecular weight of 461.90 g/mol. Its IUPAC name is N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-ethylpropanamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-ethylpropanamide
PubChem CID30137689
Molecular FormulaC23H22ClF2N3O3
Molecular Weight461.90 g/mol
Exact Mass461.13
IUPAC NameN-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-ethylpropanamide
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)CCc1ncc(-c2c(F)cccc2F)o1
InChIInChI=1S/C23H22ClF2N3O3/c1-3-29(13-20(30)28-18-11-15(24)8-7-14(18)2)22(31)10-9-21-27-12-19(32-21)23-16(25)5-4-6-17(23)26/h4-8,11-12H,3,9-10,13H2,1-2H3,(H,28,30)
InChIKeyBXTTTYNHVQJXBD-UHFFFAOYSA-N
XLogP5.00
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.90
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
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N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-3-indol-1-ylpropanamide
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3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(dimethylamino)phenyl]propanamide
CID 30875412
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(2-methylphenyl)methyl]propanamide
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3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2,6-di(propan-2-yl)phenyl]propanamide
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N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-(2-oxoquinoxalin-1-yl)acetamide
CID 24686704
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 43050657
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-phenylpropanamide
CID 29494121
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[(2,4-dimethylphenyl)methyl]-N-methylpropanamide
CID 33046155
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-ethylpropanamide?
The IUPAC name of N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-ethylpropanamide (CID 30137689) is N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-ethylpropanamide.
What is the SMILES notation for N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-ethylpropanamide?
The canonical SMILES for N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-ethylpropanamide is CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)CCc1ncc(-c2c(F)cccc2F)o1.
What is the InChIKey of N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-ethylpropanamide?
The InChIKey is BXTTTYNHVQJXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClF2N3O3/c1-3-29(13-20(30)28-18-11-15(24)8-7-14(18)2)22(31)10-9-21-27-12-19(32-21)23-16(25)5-4-6-17(23)26/h4-8,11-12H,3,9-10,13H2,1-2H3,(H,28,30).
What are the key properties of N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-ethylpropanamide?
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-ethylpropanamide has a molecular weight of 461.90 g/mol, XLogP of 5.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-ethylpropanamide is sourced from PubChem (CID 30137689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).