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

C12H15F3N2O — CID 91617003

IUPAC(2S)-2-[3-(trifluoromethyl)anilino]pentanamide
SMILESCCC[C@H](Nc1cccc(C(F)(F)F)c1)C(N)=O
InChIInChI=1S/C12H15F3N2O/c1-2-4-10(11(16)18)17-9-6-3-5-8(7-9)12(13,14)15/h3,5-7,10,17H,2,4H2,1H3,(H2,16,18)/t10-/m0/s1
InChIKeyUXAKGBZITJTYFF-JTQLQIEISA-N
MW260.26 g/mol
LogP2.77
Rot. Bonds5

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

(2S)-2-[3-(trifluoromethyl)anilino]pentanamide (PubChem CID 91617003) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is (2S)-2-[3-(trifluoromethyl)anilino]pentanamide.

Molecular Properties

Compound Name(2S)-2-[3-(trifluoromethyl)anilino]pentanamide
PubChem CID91617003
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name(2S)-2-[3-(trifluoromethyl)anilino]pentanamide
SMILESCCC[C@H](Nc1cccc(C(F)(F)F)c1)C(N)=O
InChIInChI=1S/C12H15F3N2O/c1-2-4-10(11(16)18)17-9-6-3-5-8(7-9)12(13,14)15/h3,5-7,10,17H,2,4H2,1H3,(H2,16,18)/t10-/m0/s1
InChIKeyUXAKGBZITJTYFF-JTQLQIEISA-N
XLogP2.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-5-amino-2-[3-(trifluoromethyl)anilino]pentanamide
CID 66859861
2-(3-bromoanilino)pentanamide
CID 61005208
2-[4-(trifluoromethyl)anilino]butanamide
CID 55130262
methyl (2S)-3-phenyl-2-[3-(trifluoromethyl)anilino]propanoate
CID 162417638
(2S)-6-amino-N,N-dimethyl-2-[3-(trifluoromethyl)anilino]hexanamide
CID 68650829
1-N'-[3-(trifluoromethyl)phenyl]hexane-1,1-diamine;dihydrochloride
CID 70300182
3-(ethylamino)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 62853406
N-[(1S)-2,2,2-trichloro-1-[3-(trifluoromethyl)anilino]ethyl]propanamide
CID 1099747
2-thiophen-2-yl-2-[3-(trifluoromethyl)anilino]acetamide
CID 69003466
N'-hydroxy-3-[3-(trifluoromethyl)anilino]pentanimidamide
CID 77025930
N-ethyl-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 2251553
2-(3-propan-2-ylanilino)butanamide
CID 62900215

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-(trifluoromethyl)anilino]pentanamide?
The IUPAC name of (2S)-2-[3-(trifluoromethyl)anilino]pentanamide (CID 91617003) is (2S)-2-[3-(trifluoromethyl)anilino]pentanamide.
What is the SMILES notation for (2S)-2-[3-(trifluoromethyl)anilino]pentanamide?
The canonical SMILES for (2S)-2-[3-(trifluoromethyl)anilino]pentanamide is CCC[C@H](Nc1cccc(C(F)(F)F)c1)C(N)=O.
What is the InChIKey of (2S)-2-[3-(trifluoromethyl)anilino]pentanamide?
The InChIKey is UXAKGBZITJTYFF-JTQLQIEISA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-2-4-10(11(16)18)17-9-6-3-5-8(7-9)12(13,14)15/h3,5-7,10,17H,2,4H2,1H3,(H2,16,18)/t10-/m0/s1.
What are the key properties of (2S)-2-[3-(trifluoromethyl)anilino]pentanamide?
(2S)-2-[3-(trifluoromethyl)anilino]pentanamide has a molecular weight of 260.26 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-(trifluoromethyl)anilino]pentanamide is sourced from PubChem (CID 91617003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).