5-(4-fluoroanilino)pentylcarbamic acid

C12H17FN2O2 — CID 69396866

IUPAC5-(4-fluoroanilino)pentylcarbamic acid
SMILESO=C(O)NCCCCCNc1ccc(F)cc1
InChIInChI=1S/C12H17FN2O2/c13-10-4-6-11(7-5-10)14-8-2-1-3-9-15-12(16)17/h4-7,14-15H,1-3,8-9H2,(H,16,17)
InChIKeyIPDJOJHDUMEZOF-UHFFFAOYSA-N
MW240.28 g/mol
LogP2.68
Rot. Bonds7

About 5-(4-fluoroanilino)pentylcarbamic acid

5-(4-fluoroanilino)pentylcarbamic acid (PubChem CID 69396866) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 5-(4-fluoroanilino)pentylcarbamic acid.

Molecular Properties

Compound Name5-(4-fluoroanilino)pentylcarbamic acid
PubChem CID69396866
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name5-(4-fluoroanilino)pentylcarbamic acid
SMILESO=C(O)NCCCCCNc1ccc(F)cc1
InChIInChI=1S/C12H17FN2O2/c13-10-4-6-11(7-5-10)14-8-2-1-3-9-15-12(16)17/h4-7,14-15H,1-3,8-9H2,(H,16,17)
InChIKeyIPDJOJHDUMEZOF-UHFFFAOYSA-N
XLogP2.68
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoroanilino)pentylcarbamic acid?
The IUPAC name of 5-(4-fluoroanilino)pentylcarbamic acid (CID 69396866) is 5-(4-fluoroanilino)pentylcarbamic acid.
What is the SMILES notation for 5-(4-fluoroanilino)pentylcarbamic acid?
The canonical SMILES for 5-(4-fluoroanilino)pentylcarbamic acid is O=C(O)NCCCCCNc1ccc(F)cc1.
What is the InChIKey of 5-(4-fluoroanilino)pentylcarbamic acid?
The InChIKey is IPDJOJHDUMEZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c13-10-4-6-11(7-5-10)14-8-2-1-3-9-15-12(16)17/h4-7,14-15H,1-3,8-9H2,(H,16,17).
What are the key properties of 5-(4-fluoroanilino)pentylcarbamic acid?
5-(4-fluoroanilino)pentylcarbamic acid has a molecular weight of 240.28 g/mol, XLogP of 2.68, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoroanilino)pentylcarbamic acid is sourced from PubChem (CID 69396866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).