N-[(1S)-1-(3-bromophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide

C12H14BrF3N2O — CID 81376338

IUPACN-[(1S)-1-(3-bromophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESC[C@H](NC(=O)CNCC(F)(F)F)c1cccc(Br)c1
InChIInChI=1S/C12H14BrF3N2O/c1-8(9-3-2-4-10(13)5-9)18-11(19)6-17-7-12(14,15)16/h2-5,8,17H,6-7H2,1H3,(H,18,19)/t8-/m0/s1
InChIKeyVSGUDWXBMBUHDK-QMMMGPOBSA-N
MW339.16 g/mol
LogP2.78
Rot. Bonds5

About N-[(1S)-1-(3-bromophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide

N-[(1S)-1-(3-bromophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 81376338) has the molecular formula C12H14BrF3N2O and a molecular weight of 339.16 g/mol. Its IUPAC name is N-[(1S)-1-(3-bromophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-bromophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID81376338
Molecular FormulaC12H14BrF3N2O
Molecular Weight339.16 g/mol
Exact Mass338.02
IUPAC NameN-[(1S)-1-(3-bromophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESC[C@H](NC(=O)CNCC(F)(F)F)c1cccc(Br)c1
InChIInChI=1S/C12H14BrF3N2O/c1-8(9-3-2-4-10(13)5-9)18-11(19)6-17-7-12(14,15)16/h2-5,8,17H,6-7H2,1H3,(H,18,19)/t8-/m0/s1
InChIKeyVSGUDWXBMBUHDK-QMMMGPOBSA-N
XLogP2.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.16
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(3-bromophenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 81376466
N-[1-(3-bromophenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 60842363
N-[1-(3-bromophenyl)ethyl]-2,2,2-trifluoroethanamine
CID 24697682
2,2,2-trifluoroethyl N-[1-(3-bromophenyl)ethyl]carbamate
CID 65168603
N-[1-(4-fluorophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914722
3-amino-N-[1-(3-bromophenyl)ethyl]-3-methylbutanamide
CID 64686188
N-[1-(2-bromophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914874
N-[(1S)-1-(3-bromophenyl)ethyl]-2-phenylacetamide
CID 28558064
N-[(1R)-1-(3-bromophenyl)ethyl]-2-piperazin-1-ylacetamide
CID 81376325
N-[2-[1-(3-bromophenyl)ethylamino]-2-oxoethyl]benzamide
CID 42884462
5-[[(1R)-1-(3-bromophenyl)ethyl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 81372143
N-[1-(3-bromophenyl)ethyl]-4-chlorobutanamide
CID 63307697

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-bromophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[(1S)-1-(3-bromophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 81376338) is N-[(1S)-1-(3-bromophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[(1S)-1-(3-bromophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[(1S)-1-(3-bromophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide is C[C@H](NC(=O)CNCC(F)(F)F)c1cccc(Br)c1.
What is the InChIKey of N-[(1S)-1-(3-bromophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is VSGUDWXBMBUHDK-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H14BrF3N2O/c1-8(9-3-2-4-10(13)5-9)18-11(19)6-17-7-12(14,15)16/h2-5,8,17H,6-7H2,1H3,(H,18,19)/t8-/m0/s1.
What are the key properties of N-[(1S)-1-(3-bromophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[(1S)-1-(3-bromophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 339.16 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-bromophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 81376338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).