3-acetamido-3-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]propanamide

C19H19F3N2O3 — CID 46689046

IUPAC3-acetamido-3-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCOc1ccc(C(CC(=O)Nc2ccc(C(F)(F)F)cc2)NC(C)=O)cc1
InChIInChI=1S/C19H19F3N2O3/c1-12(25)23-17(13-3-9-16(27-2)10-4-13)11-18(26)24-15-7-5-14(6-8-15)19(20,21)22/h3-10,17H,11H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyXUFZBPDGZGOBNV-UHFFFAOYSA-N
MW380.37 g/mol
LogP3.92
Rot. Bonds6

About 3-acetamido-3-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]propanamide

3-acetamido-3-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 46689046) has the molecular formula C19H19F3N2O3 and a molecular weight of 380.37 g/mol. Its IUPAC name is 3-acetamido-3-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-acetamido-3-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID46689046
Molecular FormulaC19H19F3N2O3
Molecular Weight380.37 g/mol
Exact Mass380.13
IUPAC Name3-acetamido-3-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCOc1ccc(C(CC(=O)Nc2ccc(C(F)(F)F)cc2)NC(C)=O)cc1
InChIInChI=1S/C19H19F3N2O3/c1-12(25)23-17(13-3-9-16(27-2)10-4-13)11-18(26)24-15-7-5-14(6-8-15)19(20,21)22/h3-10,17H,11H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyXUFZBPDGZGOBNV-UHFFFAOYSA-N
XLogP3.92
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-acetamido-3-(4-methylphenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 26700777
3-acetamido-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide
CID 46689011
(3R)-3-acetamido-3-(4-methoxyphenyl)-N-(4-phenoxyphenyl)propanamide
CID 30685077
tert-butyl N-[2-[[3-acetamido-3-(4-methoxyphenyl)propanoyl]amino]-4-(trifluoromethyl)phenyl]carbamate
CID 55971000
3-acetamido-N-(3-methoxyphenyl)-3-(4-methoxyphenyl)propanamide
CID 78805825
3-acetamido-3-(4-methoxyphenyl)-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide
CID 78878766
[2-(4-methoxyanilino)-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate
CID 55380350
3-acetamido-3-(4-chlorophenyl)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 51195341
(3S)-3-acetamido-N-[4-(difluoromethoxy)phenyl]-3-phenylpropanamide
CID 8502651
1-[(1S)-1-(4-methoxyphenyl)propyl]-3-[4-(trifluoromethyl)phenyl]thiourea
CID 100652435
(3S)-3-acetamido-N-(2,6-diethylphenyl)-3-(4-methoxyphenyl)propanamide
CID 40812809
3-acetamido-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(4-methoxyphenyl)propanamide
CID 134027323

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-acetamido-3-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]propanamide (CID 46689046) is 3-acetamido-3-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-acetamido-3-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-acetamido-3-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]propanamide is COc1ccc(C(CC(=O)Nc2ccc(C(F)(F)F)cc2)NC(C)=O)cc1.
What is the InChIKey of 3-acetamido-3-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is XUFZBPDGZGOBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3/c1-12(25)23-17(13-3-9-16(27-2)10-4-13)11-18(26)24-15-7-5-14(6-8-15)19(20,21)22/h3-10,17H,11H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 3-acetamido-3-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]propanamide?
3-acetamido-3-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 380.37 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 46689046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).