3-acetamido-3-(4-bromophenyl)-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide

C19H18BrF3N2O3 — CID 112822716

IUPAC3-acetamido-3-(4-bromophenyl)-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide
SMILESCC(=O)NC(CC(=O)Nc1cccc(OCC(F)(F)F)c1)c1ccc(Br)cc1
InChIInChI=1S/C19H18BrF3N2O3/c1-12(26)24-17(13-5-7-14(20)8-6-13)10-18(27)25-15-3-2-4-16(9-15)28-11-19(21,22)23/h2-9,17H,10-11H2,1H3,(H,24,26)(H,25,27)
InChIKeyLNMKSYUTFWFNIB-UHFFFAOYSA-N
MW459.26 g/mol
LogP4.60
Rot. Bonds7

About 3-acetamido-3-(4-bromophenyl)-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide

3-acetamido-3-(4-bromophenyl)-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide (PubChem CID 112822716) has the molecular formula C19H18BrF3N2O3 and a molecular weight of 459.26 g/mol. Its IUPAC name is 3-acetamido-3-(4-bromophenyl)-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-acetamido-3-(4-bromophenyl)-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide
PubChem CID112822716
Molecular FormulaC19H18BrF3N2O3
Molecular Weight459.26 g/mol
Exact Mass458.05
IUPAC Name3-acetamido-3-(4-bromophenyl)-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide
SMILESCC(=O)NC(CC(=O)Nc1cccc(OCC(F)(F)F)c1)c1ccc(Br)cc1
InChIInChI=1S/C19H18BrF3N2O3/c1-12(26)24-17(13-5-7-14(20)8-6-13)10-18(27)25-15-3-2-4-16(9-15)28-11-19(21,22)23/h2-9,17H,10-11H2,1H3,(H,24,26)(H,25,27)
InChIKeyLNMKSYUTFWFNIB-UHFFFAOYSA-N
XLogP4.60
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.26
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-acetamido-3-(4-bromophenyl)-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-acetamido-N-(3-methoxyphenyl)-3-(4-methoxyphenyl)propanamide
CID 78805825
3-acetamido-N-(3-bromophenyl)-3-phenylpropanamide
CID 22107830
4-amino-N-[3-(2,2,2-trifluoroethoxy)phenyl]pentanamide
CID 120560452
(3S)-3-acetamido-N-(3-methylphenyl)-3-phenylpropanamide
CID 8713924
3-acetamido-3-(4-bromophenyl)-N-dibenzofuran-3-ylpropanamide
CID 112826384
(3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-(3-propan-2-ylphenyl)propanamide
CID 51724863
3-acetamido-3-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 46689046
5-bromo-2-chloro-N-[3-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 34378925
(2S)-2-amino-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 119291435
N-[(1R)-1-(4-bromophenyl)-3,3,3-trifluoropropyl]acetamide
CID 129412209
4-oxo-4-phenyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]butanamide
CID 55654482
3-(4-methoxyphenyl)-N-(3-methylphenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanamide
CID 56689192

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(4-bromophenyl)-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide?
The IUPAC name of 3-acetamido-3-(4-bromophenyl)-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide (CID 112822716) is 3-acetamido-3-(4-bromophenyl)-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide.
What is the SMILES notation for 3-acetamido-3-(4-bromophenyl)-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide?
The canonical SMILES for 3-acetamido-3-(4-bromophenyl)-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide is CC(=O)NC(CC(=O)Nc1cccc(OCC(F)(F)F)c1)c1ccc(Br)cc1.
What is the InChIKey of 3-acetamido-3-(4-bromophenyl)-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide?
The InChIKey is LNMKSYUTFWFNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrF3N2O3/c1-12(26)24-17(13-5-7-14(20)8-6-13)10-18(27)25-15-3-2-4-16(9-15)28-11-19(21,22)23/h2-9,17H,10-11H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 3-acetamido-3-(4-bromophenyl)-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide?
3-acetamido-3-(4-bromophenyl)-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide has a molecular weight of 459.26 g/mol, XLogP of 4.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(4-bromophenyl)-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide is sourced from PubChem (CID 112822716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).