(2R)-N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-aminopropanamide

C12H14F3N3O2 — CID 78973301

IUPAC(2R)-N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-aminopropanamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@@H](C)N)c(C(F)(F)F)c1
InChIInChI=1S/C12H14F3N3O2/c1-6(16)11(20)18-10-4-3-8(17-7(2)19)5-9(10)12(13,14)15/h3-6H,16H2,1-2H3,(H,17,19)(H,18,20)/t6-/m1/s1
InChIKeyLYBKLFSQAZMDQV-ZCFIWIBFSA-N
MW289.26 g/mol
LogP1.95
Rot. Bonds3

About (2R)-N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-aminopropanamide

(2R)-N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-aminopropanamide (PubChem CID 78973301) has the molecular formula C12H14F3N3O2 and a molecular weight of 289.26 g/mol. Its IUPAC name is (2R)-N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-aminopropanamide.

Molecular Properties

Compound Name(2R)-N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-aminopropanamide
PubChem CID78973301
Molecular FormulaC12H14F3N3O2
Molecular Weight289.26 g/mol
Exact Mass289.10
IUPAC Name(2R)-N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-aminopropanamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@@H](C)N)c(C(F)(F)F)c1
InChIInChI=1S/C12H14F3N3O2/c1-6(16)11(20)18-10-4-3-8(17-7(2)19)5-9(10)12(13,14)15/h3-6H,16H2,1-2H3,(H,17,19)(H,18,20)/t6-/m1/s1
InChIKeyLYBKLFSQAZMDQV-ZCFIWIBFSA-N
XLogP1.95
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]propanamide
CID 54995593
(2S)-2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 22690588
N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(4-methoxyphenoxy)propanamide
CID 46509122
(2S)-2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119263846
(2R)-N-(5-acetamido-2-fluorophenyl)-2-aminopropanamide;hydrochloride
CID 119279500
N-(4-acetamidophenyl)-2-aminopropanamide;hydrochloride
CID 119261426
4-[[4-acetamido-2-(trifluoromethyl)phenyl]carbamoylamino]butanoic acid
CID 122075194
N-(3-acetamidophenyl)-2-aminopropanamide
CID 24711020
N-(5-acetamido-2-methoxyphenyl)-2-aminopropanamide;hydrochloride
CID 119266368
tert-butyl N-[4-acetamido-3-(trifluoromethyl)phenyl]carbamate
CID 56827231
2-(4-acetamidoanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 51242154
N-[4-acetamido-2-(trifluoromethyl)phenyl]-2,2-dichloro-1-methylcyclopropane-1-carboxamide
CID 43041008

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-aminopropanamide?
The IUPAC name of (2R)-N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-aminopropanamide (CID 78973301) is (2R)-N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-aminopropanamide.
What is the SMILES notation for (2R)-N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-aminopropanamide?
The canonical SMILES for (2R)-N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-aminopropanamide is CC(=O)Nc1ccc(NC(=O)[C@@H](C)N)c(C(F)(F)F)c1.
What is the InChIKey of (2R)-N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-aminopropanamide?
The InChIKey is LYBKLFSQAZMDQV-ZCFIWIBFSA-N. The full InChI is InChI=1S/C12H14F3N3O2/c1-6(16)11(20)18-10-4-3-8(17-7(2)19)5-9(10)12(13,14)15/h3-6H,16H2,1-2H3,(H,17,19)(H,18,20)/t6-/m1/s1.
What are the key properties of (2R)-N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-aminopropanamide?
(2R)-N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-aminopropanamide has a molecular weight of 289.26 g/mol, XLogP of 1.95, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-aminopropanamide is sourced from PubChem (CID 78973301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).