3-acetamido-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(4-methoxyphenyl)propanamide

C20H20ClF3N2O4 — CID 134027323

IUPAC3-acetamido-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(C(CC(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)NC(C)=O)cc1
InChIInChI=1S/C20H20ClF3N2O4/c1-12(27)25-16(13-3-6-15(29-2)7-4-13)10-19(28)26-17-9-14(21)5-8-18(17)30-11-20(22,23)24/h3-9,16H,10-11H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyIIQIPGWIBWBZLK-UHFFFAOYSA-N
MW444.84 g/mol
LogP4.50
Rot. Bonds8

About 3-acetamido-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(4-methoxyphenyl)propanamide

3-acetamido-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 134027323) has the molecular formula C20H20ClF3N2O4 and a molecular weight of 444.84 g/mol. Its IUPAC name is 3-acetamido-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-acetamido-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(4-methoxyphenyl)propanamide
PubChem CID134027323
Molecular FormulaC20H20ClF3N2O4
Molecular Weight444.84 g/mol
Exact Mass444.11
IUPAC Name3-acetamido-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(C(CC(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)NC(C)=O)cc1
InChIInChI=1S/C20H20ClF3N2O4/c1-12(27)25-16(13-3-6-15(29-2)7-4-13)10-19(28)26-17-9-14(21)5-8-18(17)30-11-20(22,23)24/h3-9,16H,10-11H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyIIQIPGWIBWBZLK-UHFFFAOYSA-N
XLogP4.50
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.84
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide
CID 46689011
2-(4-chlorophenoxy)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 134027239
3-acetamido-3-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 46689046
N-[3-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
CID 55377186
3-acetamido-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-(4-methoxyphenyl)propanamide
CID 43039374
3-acetamido-N-(5-chloro-2-methylphenyl)-3-(4-chlorophenyl)propanamide
CID 51195326
3-acetamido-3-(4-chlorophenyl)-N-(4,5-dimethoxy-2-methylphenyl)propanamide
CID 51195428
3-acetamido-3-(4-methoxyphenyl)-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide
CID 78878766
3-acetamido-N-(2-fluoro-5-nitrophenyl)-3-(4-methoxyphenyl)propanamide
CID 78806001
tert-butyl N-[2-[[3-acetamido-3-(4-methoxyphenyl)propanoyl]amino]-4-(trifluoromethyl)phenyl]carbamate
CID 55971000
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 134027266
3-acetamido-N-(2-ethylphenyl)-3-(4-methoxyphenyl)propanamide
CID 17436555

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of 3-acetamido-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(4-methoxyphenyl)propanamide (CID 134027323) is 3-acetamido-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 3-acetamido-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for 3-acetamido-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(4-methoxyphenyl)propanamide is COc1ccc(C(CC(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)NC(C)=O)cc1.
What is the InChIKey of 3-acetamido-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is IIQIPGWIBWBZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClF3N2O4/c1-12(27)25-16(13-3-6-15(29-2)7-4-13)10-19(28)26-17-9-14(21)5-8-18(17)30-11-20(22,23)24/h3-9,16H,10-11H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 3-acetamido-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(4-methoxyphenyl)propanamide?
3-acetamido-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 444.84 g/mol, XLogP of 4.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 134027323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).