2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methoxypentanamide

C13H16ClF3N2O2 — CID 81084287

IUPAC2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methoxypentanamide
SMILESCOCCCC(N)C(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C13H16ClF3N2O2/c1-21-6-2-3-10(18)12(20)19-11-5-4-8(14)7-9(11)13(15,16)17/h4-5,7,10H,2-3,6,18H2,1H3,(H,19,20)
InChIKeyZBDOFNFPZMSRAD-UHFFFAOYSA-N
MW324.73 g/mol
LogP3.05
Rot. Bonds6

About 2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methoxypentanamide

2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methoxypentanamide (PubChem CID 81084287) has the molecular formula C13H16ClF3N2O2 and a molecular weight of 324.73 g/mol. Its IUPAC name is 2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methoxypentanamide.

Molecular Properties

Compound Name2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methoxypentanamide
PubChem CID81084287
Molecular FormulaC13H16ClF3N2O2
Molecular Weight324.73 g/mol
Exact Mass324.09
IUPAC Name2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methoxypentanamide
SMILESCOCCCC(N)C(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C13H16ClF3N2O2/c1-21-6-2-3-10(18)12(20)19-11-5-4-8(14)7-9(11)13(15,16)17/h4-5,7,10H,2-3,6,18H2,1H3,(H,19,20)
InChIKeyZBDOFNFPZMSRAD-UHFFFAOYSA-N
XLogP3.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.73
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]pentanamide
CID 43650065
2-amino-5-methoxy-N-[2-(trifluoromethyl)phenyl]pentanamide
CID 81082297
methyl 2-[(2-amino-5-methoxypentanoyl)amino]-4-chlorobenzoate
CID 81084917
2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]butanediamide
CID 60848978
(2S)-2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 22690588
2-amino-N-(2,5-difluorophenyl)-5-methoxypentanamide
CID 81081032
2-amino-N-(5-chloro-2-ethoxyphenyl)-5-methoxypentanamide
CID 81083183
2-amino-N-(2-fluoro-5-methylphenyl)-5-methoxypentanamide
CID 81081841
3-[(2-amino-5-methoxypentanoyl)amino]-4-fluorobenzamide
CID 81083526
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide
CID 103603473
2-amino-N-(2-chloro-5-methoxyphenyl)-5-methoxypentanamide
CID 81089395
2-(aminomethyl)-N-[4-chloro-2-(trifluoromethyl)phenyl]butanamide
CID 65225936

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methoxypentanamide?
The IUPAC name of 2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methoxypentanamide (CID 81084287) is 2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methoxypentanamide.
What is the SMILES notation for 2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methoxypentanamide?
The canonical SMILES for 2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methoxypentanamide is COCCCC(N)C(=O)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of 2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methoxypentanamide?
The InChIKey is ZBDOFNFPZMSRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF3N2O2/c1-21-6-2-3-10(18)12(20)19-11-5-4-8(14)7-9(11)13(15,16)17/h4-5,7,10H,2-3,6,18H2,1H3,(H,19,20).
What are the key properties of 2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methoxypentanamide?
2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methoxypentanamide has a molecular weight of 324.73 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methoxypentanamide is sourced from PubChem (CID 81084287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).