(3-fluorophenyl) N-[6-[(3-fluorophenoxy)carbonylamino]hexyl]carbamate

C20H22F2N2O4 — CID 2834244

IUPAC(3-fluorophenyl) N-[6-[(3-fluorophenoxy)carbonylamino]hexyl]carbamate
SMILESO=C(NCCCCCCNC(=O)Oc1cccc(F)c1)Oc1cccc(F)c1
InChIInChI=1S/C20H22F2N2O4/c21-15-7-5-9-17(13-15)27-19(25)23-11-3-1-2-4-12-24-20(26)28-18-10-6-8-16(22)14-18/h5-10,13-14H,1-4,11-12H2,(H,23,25)(H,24,26)
InChIKeyLODMYVCWBNESNC-UHFFFAOYSA-N
MW392.40 g/mol
LogP4.40
Rot. Bonds9

About (3-fluorophenyl) N-[6-[(3-fluorophenoxy)carbonylamino]hexyl]carbamate

(3-fluorophenyl) N-[6-[(3-fluorophenoxy)carbonylamino]hexyl]carbamate (PubChem CID 2834244) has the molecular formula C20H22F2N2O4 and a molecular weight of 392.40 g/mol. Its IUPAC name is (3-fluorophenyl) N-[6-[(3-fluorophenoxy)carbonylamino]hexyl]carbamate.

Molecular Properties

Compound Name(3-fluorophenyl) N-[6-[(3-fluorophenoxy)carbonylamino]hexyl]carbamate
PubChem CID2834244
Molecular FormulaC20H22F2N2O4
Molecular Weight392.40 g/mol
Exact Mass392.15
IUPAC Name(3-fluorophenyl) N-[6-[(3-fluorophenoxy)carbonylamino]hexyl]carbamate
SMILESO=C(NCCCCCCNC(=O)Oc1cccc(F)c1)Oc1cccc(F)c1
InChIInChI=1S/C20H22F2N2O4/c21-15-7-5-9-17(13-15)27-19(25)23-11-3-1-2-4-12-24-20(26)28-18-10-6-8-16(22)14-18/h5-10,13-14H,1-4,11-12H2,(H,23,25)(H,24,26)
InChIKeyLODMYVCWBNESNC-UHFFFAOYSA-N
XLogP4.40
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.40
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (3-fluorophenyl) N-[6-[(3-fluorophenoxy)carbonylamino]hexyl]carbamate?
The IUPAC name of (3-fluorophenyl) N-[6-[(3-fluorophenoxy)carbonylamino]hexyl]carbamate (CID 2834244) is (3-fluorophenyl) N-[6-[(3-fluorophenoxy)carbonylamino]hexyl]carbamate.
What is the SMILES notation for (3-fluorophenyl) N-[6-[(3-fluorophenoxy)carbonylamino]hexyl]carbamate?
The canonical SMILES for (3-fluorophenyl) N-[6-[(3-fluorophenoxy)carbonylamino]hexyl]carbamate is O=C(NCCCCCCNC(=O)Oc1cccc(F)c1)Oc1cccc(F)c1.
What is the InChIKey of (3-fluorophenyl) N-[6-[(3-fluorophenoxy)carbonylamino]hexyl]carbamate?
The InChIKey is LODMYVCWBNESNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O4/c21-15-7-5-9-17(13-15)27-19(25)23-11-3-1-2-4-12-24-20(26)28-18-10-6-8-16(22)14-18/h5-10,13-14H,1-4,11-12H2,(H,23,25)(H,24,26).
What are the key properties of (3-fluorophenyl) N-[6-[(3-fluorophenoxy)carbonylamino]hexyl]carbamate?
(3-fluorophenyl) N-[6-[(3-fluorophenoxy)carbonylamino]hexyl]carbamate has a molecular weight of 392.40 g/mol, XLogP of 4.40, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl) N-[6-[(3-fluorophenoxy)carbonylamino]hexyl]carbamate is sourced from PubChem (CID 2834244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).