2-[[(2R)-2-acetamidopropanoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide

C14H16F3N3O3 — CID 95625392

IUPAC2-[[(2R)-2-acetamidopropanoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC(=O)N[C@H](C)C(=O)Nc1ccccc1C(=O)NCC(F)(F)F
InChIInChI=1S/C14H16F3N3O3/c1-8(19-9(2)21)12(22)20-11-6-4-3-5-10(11)13(23)18-7-14(15,16)17/h3-6,8H,7H2,1-2H3,(H,18,23)(H,19,21)(H,20,22)/t8-/m1/s1
InChIKeyLFNRCKGOBBLUDI-MRVPVSSYSA-N
MW331.29 g/mol
LogP1.44
Rot. Bonds5

About 2-[[(2R)-2-acetamidopropanoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide

2-[[(2R)-2-acetamidopropanoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 95625392) has the molecular formula C14H16F3N3O3 and a molecular weight of 331.29 g/mol. Its IUPAC name is 2-[[(2R)-2-acetamidopropanoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name2-[[(2R)-2-acetamidopropanoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID95625392
Molecular FormulaC14H16F3N3O3
Molecular Weight331.29 g/mol
Exact Mass331.11
IUPAC Name2-[[(2R)-2-acetamidopropanoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC(=O)N[C@H](C)C(=O)Nc1ccccc1C(=O)NCC(F)(F)F
InChIInChI=1S/C14H16F3N3O3/c1-8(19-9(2)21)12(22)20-11-6-4-3-5-10(11)13(23)18-7-14(15,16)17/h3-6,8H,7H2,1-2H3,(H,18,23)(H,19,21)(H,20,22)/t8-/m1/s1
InChIKeyLFNRCKGOBBLUDI-MRVPVSSYSA-N
XLogP1.44
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[(2R)-2-acetamidopropanoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide 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

N-[1-oxo-1-[2-(2,2,2-trifluoroethylcarbamoyl)anilino]propan-2-yl]thiophene-2-carboxamide
CID 55489098
2-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]furan-3-carboxamide
CID 17417413
N-(2-aminoethyl)-2-(2,2,2-trifluoroethylcarbamoylamino)benzamide
CID 107000067
2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 34757062
2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 55492050
2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 8025476
2-acetamido-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 78773400
2-acetamido-N-[2-(1-hydroxyethyl)phenyl]propanamide
CID 54963356
(2R)-2-acetamido-N-[2-[(2S)-butan-2-yl]phenyl]propanamide
CID 8894212
3-(2-acetamidopropanoylamino)-2-hydroxybenzoic acid
CID 113458409
N-(2-methylpropyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]benzamide
CID 32987501
2-[[3-(dimethylamino)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 35966446

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-acetamidopropanoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 2-[[(2R)-2-acetamidopropanoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide (CID 95625392) is 2-[[(2R)-2-acetamidopropanoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 2-[[(2R)-2-acetamidopropanoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 2-[[(2R)-2-acetamidopropanoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide is CC(=O)N[C@H](C)C(=O)Nc1ccccc1C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[[(2R)-2-acetamidopropanoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is LFNRCKGOBBLUDI-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H16F3N3O3/c1-8(19-9(2)21)12(22)20-11-6-4-3-5-10(11)13(23)18-7-14(15,16)17/h3-6,8H,7H2,1-2H3,(H,18,23)(H,19,21)(H,20,22)/t8-/m1/s1.
What are the key properties of 2-[[(2R)-2-acetamidopropanoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
2-[[(2R)-2-acetamidopropanoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 331.29 g/mol, XLogP of 1.44, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-acetamidopropanoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 95625392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).