3-[(2-amino-5-methoxypentanoyl)amino]-4-fluorobenzamide

C13H18FN3O3 — CID 81083526

IUPAC3-[(2-amino-5-methoxypentanoyl)amino]-4-fluorobenzamide
SMILESCOCCCC(N)C(=O)Nc1cc(C(N)=O)ccc1F
InChIInChI=1S/C13H18FN3O3/c1-20-6-2-3-10(15)13(19)17-11-7-8(12(16)18)4-5-9(11)14/h4-5,7,10H,2-3,6,15H2,1H3,(H2,16,18)(H,17,19)
InChIKeyOUALYGVOKNBDFN-UHFFFAOYSA-N
MW283.30 g/mol
LogP0.62
Rot. Bonds7

About 3-[(2-amino-5-methoxypentanoyl)amino]-4-fluorobenzamide

3-[(2-amino-5-methoxypentanoyl)amino]-4-fluorobenzamide (PubChem CID 81083526) has the molecular formula C13H18FN3O3 and a molecular weight of 283.30 g/mol. Its IUPAC name is 3-[(2-amino-5-methoxypentanoyl)amino]-4-fluorobenzamide.

Molecular Properties

Compound Name3-[(2-amino-5-methoxypentanoyl)amino]-4-fluorobenzamide
PubChem CID81083526
Molecular FormulaC13H18FN3O3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC Name3-[(2-amino-5-methoxypentanoyl)amino]-4-fluorobenzamide
SMILESCOCCCC(N)C(=O)Nc1cc(C(N)=O)ccc1F
InChIInChI=1S/C13H18FN3O3/c1-20-6-2-3-10(15)13(19)17-11-7-8(12(16)18)4-5-9(11)14/h4-5,7,10H,2-3,6,15H2,1H3,(H2,16,18)(H,17,19)
InChIKeyOUALYGVOKNBDFN-UHFFFAOYSA-N
XLogP0.62
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2,5-difluorophenyl)-5-methoxypentanamide
CID 81081032
2-amino-N-(2-fluoro-5-methylphenyl)-5-methoxypentanamide
CID 81081841
3-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-fluorobenzamide
CID 104902798
2-[(2-amino-5-methoxypentanoyl)amino]benzamide
CID 81082219
3-[[(2S)-2-aminohexanoyl]amino]-4-methoxybenzamide
CID 103831255
2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methoxypentanamide
CID 81084287
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
methyl 4-[(2-amino-5-methoxypentanoyl)amino]benzoate
CID 81089380
3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-4-fluorobenzamide;hydrochloride
CID 119727619
2-amino-5-methoxy-N-[2-(trifluoromethyl)phenyl]pentanamide
CID 81082297

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-5-methoxypentanoyl)amino]-4-fluorobenzamide?
The IUPAC name of 3-[(2-amino-5-methoxypentanoyl)amino]-4-fluorobenzamide (CID 81083526) is 3-[(2-amino-5-methoxypentanoyl)amino]-4-fluorobenzamide.
What is the SMILES notation for 3-[(2-amino-5-methoxypentanoyl)amino]-4-fluorobenzamide?
The canonical SMILES for 3-[(2-amino-5-methoxypentanoyl)amino]-4-fluorobenzamide is COCCCC(N)C(=O)Nc1cc(C(N)=O)ccc1F.
What is the InChIKey of 3-[(2-amino-5-methoxypentanoyl)amino]-4-fluorobenzamide?
The InChIKey is OUALYGVOKNBDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O3/c1-20-6-2-3-10(15)13(19)17-11-7-8(12(16)18)4-5-9(11)14/h4-5,7,10H,2-3,6,15H2,1H3,(H2,16,18)(H,17,19).
What are the key properties of 3-[(2-amino-5-methoxypentanoyl)amino]-4-fluorobenzamide?
3-[(2-amino-5-methoxypentanoyl)amino]-4-fluorobenzamide has a molecular weight of 283.30 g/mol, XLogP of 0.62, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-5-methoxypentanoyl)amino]-4-fluorobenzamide is sourced from PubChem (CID 81083526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).