(2S)-5-amino-2-[3-(trifluoromethyl)anilino]pentanamide

C12H16F3N3O — CID 66859861

IUPAC(2S)-5-amino-2-[3-(trifluoromethyl)anilino]pentanamide
SMILESNCCC[C@H](Nc1cccc(C(F)(F)F)c1)C(N)=O
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)8-3-1-4-9(7-8)18-10(11(17)19)5-2-6-16/h1,3-4,7,10,18H,2,5-6,16H2,(H2,17,19)/t10-/m0/s1
InChIKeyDLYIYRCNULJNCW-JTQLQIEISA-N
MW275.27 g/mol
LogP1.71
Rot. Bonds6

About (2S)-5-amino-2-[3-(trifluoromethyl)anilino]pentanamide

(2S)-5-amino-2-[3-(trifluoromethyl)anilino]pentanamide (PubChem CID 66859861) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is (2S)-5-amino-2-[3-(trifluoromethyl)anilino]pentanamide.

Molecular Properties

Compound Name(2S)-5-amino-2-[3-(trifluoromethyl)anilino]pentanamide
PubChem CID66859861
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name(2S)-5-amino-2-[3-(trifluoromethyl)anilino]pentanamide
SMILESNCCC[C@H](Nc1cccc(C(F)(F)F)c1)C(N)=O
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)8-3-1-4-9(7-8)18-10(11(17)19)5-2-6-16/h1,3-4,7,10,18H,2,5-6,16H2,(H2,17,19)/t10-/m0/s1
InChIKeyDLYIYRCNULJNCW-JTQLQIEISA-N
XLogP1.71
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[3-(trifluoromethyl)anilino]pentanamide
CID 91617003
(2S)-6-amino-N,N-dimethyl-2-[3-(trifluoromethyl)anilino]hexanamide
CID 68650829
N'-[3-(trifluoromethyl)phenyl]butane-1,4-diamine
CID 94261042
methyl (2S)-3-phenyl-2-[3-(trifluoromethyl)anilino]propanoate
CID 162417638
2-thiophen-2-yl-2-[3-(trifluoromethyl)anilino]acetamide
CID 69003466
1-(6-aminohexyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 107844330
ethyl (2R)-5-amino-2-[3-chloro-5-(trifluoromethyl)anilino]pentanoate
CID 162612299
(2R)-6-amino-N-(2-amino-5-cyano-6-ethoxypyrimidin-4-yl)-2-[3-(trifluoromethyl)anilino]hexanamide
CID 66859667
(2S)-2-(carbamoylamino)-4-methylsulfanyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 94820278
2-anilino-2-[3-(trifluoromethyl)phenyl]acetamide
CID 61005725
2-(3-bromoanilino)nonanamide
CID 54892272
N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-[3-(trifluoromethyl)anilino]pentanamide?
The IUPAC name of (2S)-5-amino-2-[3-(trifluoromethyl)anilino]pentanamide (CID 66859861) is (2S)-5-amino-2-[3-(trifluoromethyl)anilino]pentanamide.
What is the SMILES notation for (2S)-5-amino-2-[3-(trifluoromethyl)anilino]pentanamide?
The canonical SMILES for (2S)-5-amino-2-[3-(trifluoromethyl)anilino]pentanamide is NCCC[C@H](Nc1cccc(C(F)(F)F)c1)C(N)=O.
What is the InChIKey of (2S)-5-amino-2-[3-(trifluoromethyl)anilino]pentanamide?
The InChIKey is DLYIYRCNULJNCW-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16F3N3O/c13-12(14,15)8-3-1-4-9(7-8)18-10(11(17)19)5-2-6-16/h1,3-4,7,10,18H,2,5-6,16H2,(H2,17,19)/t10-/m0/s1.
What are the key properties of (2S)-5-amino-2-[3-(trifluoromethyl)anilino]pentanamide?
(2S)-5-amino-2-[3-(trifluoromethyl)anilino]pentanamide has a molecular weight of 275.27 g/mol, XLogP of 1.71, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-[3-(trifluoromethyl)anilino]pentanamide is sourced from PubChem (CID 66859861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).