5-[(2-fluoro-6-methoxybenzoyl)amino]-2-methylpentanoic acid

C14H18FNO4 — CID 104681666

IUPAC5-[(2-fluoro-6-methoxybenzoyl)amino]-2-methylpentanoic acid
SMILESCOc1cccc(F)c1C(=O)NCCCC(C)C(=O)O
InChIInChI=1S/C14H18FNO4/c1-9(14(18)19)5-4-8-16-13(17)12-10(15)6-3-7-11(12)20-2/h3,6-7,9H,4-5,8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyFEALLSYRFPYFPM-UHFFFAOYSA-N
MW283.30 g/mol
LogP2.07
Rot. Bonds7

About 5-[(2-fluoro-6-methoxybenzoyl)amino]-2-methylpentanoic acid

5-[(2-fluoro-6-methoxybenzoyl)amino]-2-methylpentanoic acid (PubChem CID 104681666) has the molecular formula C14H18FNO4 and a molecular weight of 283.30 g/mol. Its IUPAC name is 5-[(2-fluoro-6-methoxybenzoyl)amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name5-[(2-fluoro-6-methoxybenzoyl)amino]-2-methylpentanoic acid
PubChem CID104681666
Molecular FormulaC14H18FNO4
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC Name5-[(2-fluoro-6-methoxybenzoyl)amino]-2-methylpentanoic acid
SMILESCOc1cccc(F)c1C(=O)NCCCC(C)C(=O)O
InChIInChI=1S/C14H18FNO4/c1-9(14(18)19)5-4-8-16-13(17)12-10(15)6-3-7-11(12)20-2/h3,6-7,9H,4-5,8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyFEALLSYRFPYFPM-UHFFFAOYSA-N
XLogP2.07
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 52.07
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

N-[3-(ethylamino)propyl]-2-fluoro-6-methoxybenzamide
CID 65434428
2-fluoro-N-(3-hydroxy-2-methylpropyl)-6-methoxybenzamide
CID 65433658
N-(5-chloropentyl)-2-fluoro-6-methoxybenzamide
CID 107321246
5-[2-(2-fluorophenoxy)propanoylamino]-2-methylpentanoic acid
CID 104682391
3-[(2-fluoro-6-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174619
5-[(2-fluoro-6-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 82010234
2-fluoro-6-methoxy-N-(3-methyl-2-oxobutyl)benzamide
CID 65434403
4-[(2-chloro-6-fluorobenzoyl)amino]-2-methylbutanoic acid
CID 80538290
N-(2,2-dimethoxyethyl)-2-fluoro-6-methoxybenzamide
CID 65434019
N-(2-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide
CID 81483225
N-(3-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide
CID 65433400
N-(4-bromopentyl)-2,6-difluorobenzamide
CID 106130576

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluoro-6-methoxybenzoyl)amino]-2-methylpentanoic acid?
The IUPAC name of 5-[(2-fluoro-6-methoxybenzoyl)amino]-2-methylpentanoic acid (CID 104681666) is 5-[(2-fluoro-6-methoxybenzoyl)amino]-2-methylpentanoic acid.
What is the SMILES notation for 5-[(2-fluoro-6-methoxybenzoyl)amino]-2-methylpentanoic acid?
The canonical SMILES for 5-[(2-fluoro-6-methoxybenzoyl)amino]-2-methylpentanoic acid is COc1cccc(F)c1C(=O)NCCCC(C)C(=O)O.
What is the InChIKey of 5-[(2-fluoro-6-methoxybenzoyl)amino]-2-methylpentanoic acid?
The InChIKey is FEALLSYRFPYFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO4/c1-9(14(18)19)5-4-8-16-13(17)12-10(15)6-3-7-11(12)20-2/h3,6-7,9H,4-5,8H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 5-[(2-fluoro-6-methoxybenzoyl)amino]-2-methylpentanoic acid?
5-[(2-fluoro-6-methoxybenzoyl)amino]-2-methylpentanoic acid has a molecular weight of 283.30 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluoro-6-methoxybenzoyl)amino]-2-methylpentanoic acid is sourced from PubChem (CID 104681666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).