2-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-3,3,3-trifluoro-2-methylpropanamide

C12H14BrF3N2O — CID 81376845

IUPAC2-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-3,3,3-trifluoro-2-methylpropanamide
SMILESC[C@H](NC(=O)C(C)(N)C(F)(F)F)c1cccc(Br)c1
InChIInChI=1S/C12H14BrF3N2O/c1-7(8-4-3-5-9(13)6-8)18-10(19)11(2,17)12(14,15)16/h3-7H,17H2,1-2H3,(H,18,19)/t7-,11?/m0/s1
InChIKeyPUQCVHMECXGYHF-RGENBBCFSA-N
MW339.16 g/mol
LogP2.91
Rot. Bonds3

About 2-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-3,3,3-trifluoro-2-methylpropanamide

2-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-3,3,3-trifluoro-2-methylpropanamide (PubChem CID 81376845) has the molecular formula C12H14BrF3N2O and a molecular weight of 339.16 g/mol. Its IUPAC name is 2-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-3,3,3-trifluoro-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-3,3,3-trifluoro-2-methylpropanamide
PubChem CID81376845
Molecular FormulaC12H14BrF3N2O
Molecular Weight339.16 g/mol
Exact Mass338.02
IUPAC Name2-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-3,3,3-trifluoro-2-methylpropanamide
SMILESC[C@H](NC(=O)C(C)(N)C(F)(F)F)c1cccc(Br)c1
InChIInChI=1S/C12H14BrF3N2O/c1-7(8-4-3-5-9(13)6-8)18-10(19)11(2,17)12(14,15)16/h3-7H,17H2,1-2H3,(H,18,19)/t7-,11?/m0/s1
InChIKeyPUQCVHMECXGYHF-RGENBBCFSA-N
XLogP2.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.16
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3,3,3-trifluoro-N-[1-(3-fluorophenyl)ethyl]-2-methylpropanamide
CID 79805972
2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3,3,3-trifluoro-2-methylpropanamide
CID 81360069
N-[1-(3-bromophenyl)ethyl]-2-hydroxy-2-methylpropanamide
CID 104936569
3-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-2,2-dimethylpropanamide
CID 115426897
2-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-2-cyclopropylpropanamide
CID 81376410
3-amino-N-[1-(3-bromophenyl)ethyl]-3-methylbutanamide
CID 64686188
2,2,2-trifluoroethyl N-[1-(3-bromophenyl)ethyl]carbamate
CID 65168603
2-amino-N-[(1S)-1-(2-bromophenyl)ethyl]-3,3,3-trifluoro-2-methylpropanamide
CID 81397684
N-[1-(3-bromophenyl)ethyl]-2-methylpropanamide
CID 55029103
2-amino-3,3,3-trifluoro-2-methyl-N-(1-thiophen-3-ylethyl)propanamide
CID 79812220
2-amino-N-[1-(3-bromophenyl)ethyl]propanamide;hydrochloride
CID 119285491
N-[(1S)-1-(3-bromophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 81376338

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-3,3,3-trifluoro-2-methylpropanamide?
The IUPAC name of 2-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-3,3,3-trifluoro-2-methylpropanamide (CID 81376845) is 2-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-3,3,3-trifluoro-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-3,3,3-trifluoro-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-3,3,3-trifluoro-2-methylpropanamide is C[C@H](NC(=O)C(C)(N)C(F)(F)F)c1cccc(Br)c1.
What is the InChIKey of 2-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-3,3,3-trifluoro-2-methylpropanamide?
The InChIKey is PUQCVHMECXGYHF-RGENBBCFSA-N. The full InChI is InChI=1S/C12H14BrF3N2O/c1-7(8-4-3-5-9(13)6-8)18-10(19)11(2,17)12(14,15)16/h3-7H,17H2,1-2H3,(H,18,19)/t7-,11?/m0/s1.
What are the key properties of 2-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-3,3,3-trifluoro-2-methylpropanamide?
2-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-3,3,3-trifluoro-2-methylpropanamide has a molecular weight of 339.16 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-3,3,3-trifluoro-2-methylpropanamide is sourced from PubChem (CID 81376845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).