7-[(4-fluorophenyl)carbamoylamino]heptanoic acid

C14H19FN2O3 — CID 24689965

IUPAC7-[(4-fluorophenyl)carbamoylamino]heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H19FN2O3/c15-11-6-8-12(9-7-11)17-14(20)16-10-4-2-1-3-5-13(18)19/h6-9H,1-5,10H2,(H,18,19)(H2,16,17,20)
InChIKeyYLDCVEPUNHOGPX-UHFFFAOYSA-N
MW282.31 g/mol
LogP2.98
Rot. Bonds8

About 7-[(4-fluorophenyl)carbamoylamino]heptanoic acid

7-[(4-fluorophenyl)carbamoylamino]heptanoic acid (PubChem CID 24689965) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)carbamoylamino]heptanoic acid.

Molecular Properties

Compound Name7-[(4-fluorophenyl)carbamoylamino]heptanoic acid
PubChem CID24689965
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Name7-[(4-fluorophenyl)carbamoylamino]heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H19FN2O3/c15-11-6-8-12(9-7-11)17-14(20)16-10-4-2-1-3-5-13(18)19/h6-9H,1-5,10H2,(H,18,19)(H2,16,17,20)
InChIKeyYLDCVEPUNHOGPX-UHFFFAOYSA-N
XLogP2.98
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-[(4-fluorophenyl)carbamoylamino]heptanoic 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-[(3,5-difluorophenyl)carbamoylamino]hexanoic acid
CID 61189558
7-[(4-bromophenyl)carbamoylamino]heptanoic acid
CID 61190824
15-[(3,4-difluorophenyl)carbamoylamino]pentadecanoic acid
CID 148926172
1-(4-fluorophenyl)-3-octadecylurea
CID 4518520
6-[(4-carbamoylphenyl)carbamoylamino]hexanoic acid
CID 61185640
6-[(4-ethylphenyl)carbamoylamino]hexanoic acid
CID 61189525
6-[(4-cyanophenyl)carbamoylamino]hexanoic acid
CID 16788289
7-[(4-chloro-3-fluorophenyl)carbamoylamino]heptanoic acid
CID 61468600
6-[(4-chloro-3-fluorophenyl)carbamoylamino]hexanoic acid
CID 61468358
7-(4-fluoroanilino)-7-oxoheptanoic acid
CID 68559650
6-[2-(4-fluorophenyl)ethylcarbamoylamino]hexanoic acid
CID 61182399
6-[(3,4-dimethylphenyl)carbamoylamino]hexanoic acid
CID 61190966

Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)carbamoylamino]heptanoic acid?
The IUPAC name of 7-[(4-fluorophenyl)carbamoylamino]heptanoic acid (CID 24689965) is 7-[(4-fluorophenyl)carbamoylamino]heptanoic acid.
What is the SMILES notation for 7-[(4-fluorophenyl)carbamoylamino]heptanoic acid?
The canonical SMILES for 7-[(4-fluorophenyl)carbamoylamino]heptanoic acid is O=C(O)CCCCCCNC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 7-[(4-fluorophenyl)carbamoylamino]heptanoic acid?
The InChIKey is YLDCVEPUNHOGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3/c15-11-6-8-12(9-7-11)17-14(20)16-10-4-2-1-3-5-13(18)19/h6-9H,1-5,10H2,(H,18,19)(H2,16,17,20).
What are the key properties of 7-[(4-fluorophenyl)carbamoylamino]heptanoic acid?
7-[(4-fluorophenyl)carbamoylamino]heptanoic acid has a molecular weight of 282.31 g/mol, XLogP of 2.98, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)carbamoylamino]heptanoic acid is sourced from PubChem (CID 24689965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).