5-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylpentanamide

C13H16F4N2O — CID 82010864

IUPAC5-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylpentanamide
SMILESCC(CN)CCC(=O)Nc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C13H16F4N2O/c1-8(7-18)2-5-12(20)19-11-6-9(13(15,16)17)3-4-10(11)14/h3-4,6,8H,2,5,7,18H2,1H3,(H,19,20)
InChIKeyOLTGEAGJCXDRMD-UHFFFAOYSA-N
MW292.28 g/mol
LogP3.16
Rot. Bonds5

About 5-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylpentanamide

5-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylpentanamide (PubChem CID 82010864) has the molecular formula C13H16F4N2O and a molecular weight of 292.28 g/mol. Its IUPAC name is 5-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylpentanamide
PubChem CID82010864
Molecular FormulaC13H16F4N2O
Molecular Weight292.28 g/mol
Exact Mass292.12
IUPAC Name5-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylpentanamide
SMILESCC(CN)CCC(=O)Nc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C13H16F4N2O/c1-8(7-18)2-5-12(20)19-11-6-9(13(15,16)17)3-4-10(11)14/h3-4,6,8H,2,5,7,18H2,1H3,(H,19,20)
InChIKeyOLTGEAGJCXDRMD-UHFFFAOYSA-N
XLogP3.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]pentanamide;hydrochloride
CID 120559768
3-[2-fluoro-5-(trifluoromethyl)anilino]-3-oxopropanoic acid
CID 63049503
5-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]pentanamide
CID 55143429
5-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 116699763
(2S)-2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119279745
2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-3-methylbutanamide
CID 63037220
2-(tert-butylamino)-N-[2-fluoro-5-(trifluoromethyl)phenyl]acetamide
CID 78953142
3-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119280151
5-amino-N-(2,4-dichlorophenyl)-4-methylpentanamide
CID 82683232
5-amino-N-(4-fluoro-2-methylphenyl)-4-methylpentanamide
CID 82016801
methyl 3-amino-2-[2-fluoro-5-(trifluoromethyl)anilino]propanoate
CID 114242293
5-amino-4-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pentanamide
CID 82013742

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylpentanamide?
The IUPAC name of 5-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylpentanamide (CID 82010864) is 5-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylpentanamide.
What is the SMILES notation for 5-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylpentanamide?
The canonical SMILES for 5-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylpentanamide is CC(CN)CCC(=O)Nc1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 5-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylpentanamide?
The InChIKey is OLTGEAGJCXDRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F4N2O/c1-8(7-18)2-5-12(20)19-11-6-9(13(15,16)17)3-4-10(11)14/h3-4,6,8H,2,5,7,18H2,1H3,(H,19,20).
What are the key properties of 5-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylpentanamide?
5-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylpentanamide has a molecular weight of 292.28 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylpentanamide is sourced from PubChem (CID 82010864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).