5-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-4-methylpentanamide

C13H16ClF3N2O — CID 116699763

IUPAC5-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-4-methylpentanamide
SMILESCC(CN)CCC(=O)Nc1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C13H16ClF3N2O/c1-8(7-18)2-3-12(20)19-11-5-9(13(15,16)17)4-10(14)6-11/h4-6,8H,2-3,7,18H2,1H3,(H,19,20)
InChIKeyVTLHMDVPUBYYLD-UHFFFAOYSA-N
MW308.73 g/mol
LogP3.67
Rot. Bonds5

About 5-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-4-methylpentanamide

5-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-4-methylpentanamide (PubChem CID 116699763) has the molecular formula C13H16ClF3N2O and a molecular weight of 308.73 g/mol. Its IUPAC name is 5-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-4-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-4-methylpentanamide
PubChem CID116699763
Molecular FormulaC13H16ClF3N2O
Molecular Weight308.73 g/mol
Exact Mass308.09
IUPAC Name5-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-4-methylpentanamide
SMILESCC(CN)CCC(=O)Nc1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C13H16ClF3N2O/c1-8(7-18)2-3-12(20)19-11-5-9(13(15,16)17)4-10(14)6-11/h4-6,8H,2-3,7,18H2,1H3,(H,19,20)
InChIKeyVTLHMDVPUBYYLD-UHFFFAOYSA-N
XLogP3.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.73
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 116699767
7-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]heptanamide
CID 116699799
5-[3-chloro-5-(trifluoromethyl)anilino]-5-oxopentanoic acid
CID 116698761
6-[3-chloro-5-(trifluoromethyl)anilino]-6-oxohexanoic acid
CID 116698763
5-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 82010864
4-amino-N-(3,5-dichlorophenyl)-3-methylbutanamide
CID 81070502
(2S)-2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]pentanamide
CID 107570754
4-amino-5-[3-chloro-5-(trifluoromethyl)anilino]-5-oxopentanoic acid
CID 116699614
2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-ethylbutanamide
CID 116699866
N-[3-chloro-5-(trifluoromethyl)phenyl]-3-methyl-2-sulfanylbutanamide
CID 107036182
1-[3-chloro-5-(trifluoromethyl)phenyl]-3-ethylurea
CID 116699308
5-amino-N-(3-chloro-4-methylphenyl)-4-methylpentanamide
CID 82683230

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-4-methylpentanamide?
The IUPAC name of 5-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-4-methylpentanamide (CID 116699763) is 5-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-4-methylpentanamide.
What is the SMILES notation for 5-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-4-methylpentanamide?
The canonical SMILES for 5-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-4-methylpentanamide is CC(CN)CCC(=O)Nc1cc(Cl)cc(C(F)(F)F)c1.
What is the InChIKey of 5-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-4-methylpentanamide?
The InChIKey is VTLHMDVPUBYYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF3N2O/c1-8(7-18)2-3-12(20)19-11-5-9(13(15,16)17)4-10(14)6-11/h4-6,8H,2-3,7,18H2,1H3,(H,19,20).
What are the key properties of 5-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-4-methylpentanamide?
5-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-4-methylpentanamide has a molecular weight of 308.73 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-4-methylpentanamide is sourced from PubChem (CID 116699763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).