2-amino-N-(2,5-difluorophenyl)-5-methoxypentanamide

C12H16F2N2O2 — CID 81081032

IUPAC2-amino-N-(2,5-difluorophenyl)-5-methoxypentanamide
SMILESCOCCCC(N)C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C12H16F2N2O2/c1-18-6-2-3-10(15)12(17)16-11-7-8(13)4-5-9(11)14/h4-5,7,10H,2-3,6,15H2,1H3,(H,16,17)
InChIKeyROSULATWIBDPLO-UHFFFAOYSA-N
MW258.27 g/mol
LogP1.66
Rot. Bonds6

About 2-amino-N-(2,5-difluorophenyl)-5-methoxypentanamide

2-amino-N-(2,5-difluorophenyl)-5-methoxypentanamide (PubChem CID 81081032) has the molecular formula C12H16F2N2O2 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-amino-N-(2,5-difluorophenyl)-5-methoxypentanamide.

Molecular Properties

Compound Name2-amino-N-(2,5-difluorophenyl)-5-methoxypentanamide
PubChem CID81081032
Molecular FormulaC12H16F2N2O2
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name2-amino-N-(2,5-difluorophenyl)-5-methoxypentanamide
SMILESCOCCCC(N)C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C12H16F2N2O2/c1-18-6-2-3-10(15)12(17)16-11-7-8(13)4-5-9(11)14/h4-5,7,10H,2-3,6,15H2,1H3,(H,16,17)
InChIKeyROSULATWIBDPLO-UHFFFAOYSA-N
XLogP1.66
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 51.66
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-(2-fluoro-5-methylphenyl)-5-methoxypentanamide
CID 81081841
3-[(2-amino-5-methoxypentanoyl)amino]-4-fluorobenzamide
CID 81083526
1-(2,5-difluorophenyl)-3-(3-methoxypropyl)urea
CID 47193946
2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methoxypentanamide
CID 81084287
2-amino-N-(2-chloro-4-fluorophenyl)-4-methoxybutanamide
CID 55081012
methyl 2-[(2-amino-5-methoxypentanoyl)amino]-4-chlorobenzoate
CID 81084917
2-amino-N-(2-hydroxyphenyl)-5-methoxypentanamide
CID 81089431
2-amino-N-(5-chloro-2-ethoxyphenyl)-5-methoxypentanamide
CID 81083183
2-amino-5-methoxy-N-[2-(trifluoromethyl)phenyl]pentanamide
CID 81082297
2-amino-N-(5-bromo-2-fluorophenyl)-3-methoxypropanamide
CID 81082239
2-[(2-amino-5-methoxypentanoyl)amino]benzamide
CID 81082219
2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-methoxypentanamide
CID 81349504

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,5-difluorophenyl)-5-methoxypentanamide?
The IUPAC name of 2-amino-N-(2,5-difluorophenyl)-5-methoxypentanamide (CID 81081032) is 2-amino-N-(2,5-difluorophenyl)-5-methoxypentanamide.
What is the SMILES notation for 2-amino-N-(2,5-difluorophenyl)-5-methoxypentanamide?
The canonical SMILES for 2-amino-N-(2,5-difluorophenyl)-5-methoxypentanamide is COCCCC(N)C(=O)Nc1cc(F)ccc1F.
What is the InChIKey of 2-amino-N-(2,5-difluorophenyl)-5-methoxypentanamide?
The InChIKey is ROSULATWIBDPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2/c1-18-6-2-3-10(15)12(17)16-11-7-8(13)4-5-9(11)14/h4-5,7,10H,2-3,6,15H2,1H3,(H,16,17).
What are the key properties of 2-amino-N-(2,5-difluorophenyl)-5-methoxypentanamide?
2-amino-N-(2,5-difluorophenyl)-5-methoxypentanamide has a molecular weight of 258.27 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,5-difluorophenyl)-5-methoxypentanamide is sourced from PubChem (CID 81081032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).