6-[[2-(4-fluorophenyl)acetyl]amino]hexanoic acid

C14H18FNO3 — CID 16793042

IUPAC6-[[2-(4-fluorophenyl)acetyl]amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C14H18FNO3/c15-12-7-5-11(6-8-12)10-13(17)16-9-3-1-2-4-14(18)19/h5-8H,1-4,9-10H2,(H,16,17)(H,18,19)
InChIKeyREFUEGZKWVLNQI-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.13
Rot. Bonds8

About 6-[[2-(4-fluorophenyl)acetyl]amino]hexanoic acid

6-[[2-(4-fluorophenyl)acetyl]amino]hexanoic acid (PubChem CID 16793042) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 6-[[2-(4-fluorophenyl)acetyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[2-(4-fluorophenyl)acetyl]amino]hexanoic acid
PubChem CID16793042
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name6-[[2-(4-fluorophenyl)acetyl]amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C14H18FNO3/c15-12-7-5-11(6-8-12)10-13(17)16-9-3-1-2-4-14(18)19/h5-8H,1-4,9-10H2,(H,16,17)(H,18,19)
InChIKeyREFUEGZKWVLNQI-UHFFFAOYSA-N
XLogP2.13
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-[[2-(4-fluorophenyl)acetyl]amino]hexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[[2-(4-bromophenyl)acetyl]amino]heptanoic acid
CID 24702414
5-[[2-(4-ethylphenyl)acetyl]amino]pentanoic acid
CID 119235222
2-(4-fluorophenyl)-N-[4-(4-fluorophenyl)butyl]acetamide
CID 110288734
6-[2-(4-fluorophenyl)ethylcarbamoylamino]hexanoic acid
CID 61182399
6-[(2-pyridin-4-ylacetyl)amino]hexanoic acid
CID 16789577
7-[(2-pyridin-4-ylacetyl)amino]heptanoic acid
CID 24700548
6-[[2-[4-(dimethylamino)phenyl]acetyl]amino]hexanoic acid
CID 57495425
6-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]hexanoic acid
CID 119220006
7-[[2-(4-bromo-3-fluorophenyl)acetyl]amino]heptanoic acid
CID 120524041
6-[3-(4-fluorophenoxy)propanoylamino]hexanoic acid
CID 43352869
6-(diaminomethylideneamino)-N-[4-[[2-(4-fluorophenyl)acetyl]amino]butyl]hexanamide
CID 10595892
2-[[2-(4-fluorophenyl)acetyl]amino]ethylcarbamic acid
CID 69253351

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(4-fluorophenyl)acetyl]amino]hexanoic acid?
The IUPAC name of 6-[[2-(4-fluorophenyl)acetyl]amino]hexanoic acid (CID 16793042) is 6-[[2-(4-fluorophenyl)acetyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[2-(4-fluorophenyl)acetyl]amino]hexanoic acid?
The canonical SMILES for 6-[[2-(4-fluorophenyl)acetyl]amino]hexanoic acid is O=C(O)CCCCCNC(=O)Cc1ccc(F)cc1.
What is the InChIKey of 6-[[2-(4-fluorophenyl)acetyl]amino]hexanoic acid?
The InChIKey is REFUEGZKWVLNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c15-12-7-5-11(6-8-12)10-13(17)16-9-3-1-2-4-14(18)19/h5-8H,1-4,9-10H2,(H,16,17)(H,18,19).
What are the key properties of 6-[[2-(4-fluorophenyl)acetyl]amino]hexanoic acid?
6-[[2-(4-fluorophenyl)acetyl]amino]hexanoic acid has a molecular weight of 267.30 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(4-fluorophenyl)acetyl]amino]hexanoic acid is sourced from PubChem (CID 16793042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).