6-[2-(4-fluorophenyl)ethylcarbamoylamino]hexanoic acid

C15H21FN2O3 — CID 61182399

IUPAC6-[2-(4-fluorophenyl)ethylcarbamoylamino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C15H21FN2O3/c16-13-7-5-12(6-8-13)9-11-18-15(21)17-10-3-1-2-4-14(19)20/h5-8H,1-4,9-11H2,(H,19,20)(H2,17,18,21)
InChIKeyYIHSVLZLNLEZBD-UHFFFAOYSA-N
MW296.34 g/mol
LogP2.31
Rot. Bonds9

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

6-[2-(4-fluorophenyl)ethylcarbamoylamino]hexanoic acid (PubChem CID 61182399) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is 6-[2-(4-fluorophenyl)ethylcarbamoylamino]hexanoic acid.

Molecular Properties

Compound Name6-[2-(4-fluorophenyl)ethylcarbamoylamino]hexanoic acid
PubChem CID61182399
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name6-[2-(4-fluorophenyl)ethylcarbamoylamino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C15H21FN2O3/c16-13-7-5-12(6-8-13)9-11-18-15(21)17-10-3-1-2-4-14(19)20/h5-8H,1-4,9-11H2,(H,19,20)(H2,17,18,21)
InChIKeyYIHSVLZLNLEZBD-UHFFFAOYSA-N
XLogP2.31
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-[2-(4-fluorophenyl)ethylcarbamoylamino]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

6-[[2-(4-fluorophenyl)acetyl]amino]hexanoic acid
CID 16793042
6-(4-fluorophenyl)hexanoic acid
CID 14739735
7-[(4-fluorophenyl)carbamoylamino]heptanoic acid
CID 24689965
4-(5-phenylpentylcarbamoylamino)butanoic acid
CID 122000470
6-[[(E)-2-(4-fluorophenyl)ethenyl]carbamoylamino]hexanoic acid
CID 108907989
3-(5-phenylpentylcarbamoylamino)propanoic acid
CID 122000469
1-[2-(4-fluorophenyl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 115575958
1-[2-(4-fluorophenyl)ethyl]-3-(methoxymethyl)urea
CID 110675926
1-(2,2-dimethylpropyl)-3-[2-(4-fluorophenyl)ethyl]urea
CID 110754997
6-[2-(4-ethoxy-3-methoxyphenyl)ethylcarbamoylamino]hexanoic acid
CID 108891543
6-[(3,5-difluorophenyl)carbamoylamino]hexanoic acid
CID 61189558
1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 46555601

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluorophenyl)ethylcarbamoylamino]hexanoic acid?
The IUPAC name of 6-[2-(4-fluorophenyl)ethylcarbamoylamino]hexanoic acid (CID 61182399) is 6-[2-(4-fluorophenyl)ethylcarbamoylamino]hexanoic acid.
What is the SMILES notation for 6-[2-(4-fluorophenyl)ethylcarbamoylamino]hexanoic acid?
The canonical SMILES for 6-[2-(4-fluorophenyl)ethylcarbamoylamino]hexanoic acid is O=C(O)CCCCCNC(=O)NCCc1ccc(F)cc1.
What is the InChIKey of 6-[2-(4-fluorophenyl)ethylcarbamoylamino]hexanoic acid?
The InChIKey is YIHSVLZLNLEZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c16-13-7-5-12(6-8-13)9-11-18-15(21)17-10-3-1-2-4-14(19)20/h5-8H,1-4,9-11H2,(H,19,20)(H2,17,18,21).
What are the key properties of 6-[2-(4-fluorophenyl)ethylcarbamoylamino]hexanoic acid?
6-[2-(4-fluorophenyl)ethylcarbamoylamino]hexanoic acid has a molecular weight of 296.34 g/mol, XLogP of 2.31, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluorophenyl)ethylcarbamoylamino]hexanoic acid is sourced from PubChem (CID 61182399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).