2-[(4-fluorophenyl)carbamoyl]hexanoic acid

C13H16FNO3 — CID 143025847

IUPAC2-[(4-fluorophenyl)carbamoyl]hexanoic acid
SMILESCCCCC(C(=O)O)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C13H16FNO3/c1-2-3-4-11(13(17)18)12(16)15-10-7-5-9(14)6-8-10/h5-8,11H,2-4H2,1H3,(H,15,16)(H,17,18)
InChIKeyOBPCTYFFBBVFEX-UHFFFAOYSA-N
MW253.27 g/mol
LogP2.66
Rot. Bonds6

About 2-[(4-fluorophenyl)carbamoyl]hexanoic acid

2-[(4-fluorophenyl)carbamoyl]hexanoic acid (PubChem CID 143025847) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)carbamoyl]hexanoic acid.

Molecular Properties

Compound Name2-[(4-fluorophenyl)carbamoyl]hexanoic acid
PubChem CID143025847
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name2-[(4-fluorophenyl)carbamoyl]hexanoic acid
SMILESCCCCC(C(=O)O)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C13H16FNO3/c1-2-3-4-11(13(17)18)12(16)15-10-7-5-9(14)6-8-10/h5-8,11H,2-4H2,1H3,(H,15,16)(H,17,18)
InChIKeyOBPCTYFFBBVFEX-UHFFFAOYSA-N
XLogP2.66
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-[(4-fluorophenyl)carbamoyl]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

2-ethyl-N-(4-fluorophenyl)heptanamide
CID 130290912
(2S)-N-(4-fluorophenyl)-2-methylbutanamide
CID 838022
3-(4-fluoroanilino)-2-methyl-3-oxopropanoic acid
CID 67508161
2-benzoyl-N-phenylheptanamide
CID 87965233
ethyl 3-(4-fluoroanilino)-2-methyl-3-oxopropanoate
CID 67507786
N-(4-fluorophenyl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76925907
N,N'-bis[4-(difluoromethylsulfanyl)phenyl]-2-hexadecylpropanediamide
CID 21203392
methyl 2-(4-fluoroanilino)hexanoate
CID 61353749
2-chloro-N-(4-fluorophenyl)propanamide
CID 532266
4-amino-5-(4-fluoroanilino)-5-oxopentanoic acid
CID 64895789
1-(4-fluorophenyl)-3-octadecylurea
CID 4518520
3-[1-(4-fluoroanilino)-1-oxopropan-2-yl]sulfanylpropanoic acid
CID 82180495

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)carbamoyl]hexanoic acid?
The IUPAC name of 2-[(4-fluorophenyl)carbamoyl]hexanoic acid (CID 143025847) is 2-[(4-fluorophenyl)carbamoyl]hexanoic acid.
What is the SMILES notation for 2-[(4-fluorophenyl)carbamoyl]hexanoic acid?
The canonical SMILES for 2-[(4-fluorophenyl)carbamoyl]hexanoic acid is CCCCC(C(=O)O)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)carbamoyl]hexanoic acid?
The InChIKey is OBPCTYFFBBVFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c1-2-3-4-11(13(17)18)12(16)15-10-7-5-9(14)6-8-10/h5-8,11H,2-4H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(4-fluorophenyl)carbamoyl]hexanoic acid?
2-[(4-fluorophenyl)carbamoyl]hexanoic acid has a molecular weight of 253.27 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)carbamoyl]hexanoic acid is sourced from PubChem (CID 143025847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).