4-[(3R)-3-[[1-(2-fluorophenoxy)-2-hydroxypropyl]amino]butyl]benzamide

C20H25FN2O3 — CID 67928254

IUPAC4-[(3R)-3-[[1-(2-fluorophenoxy)-2-hydroxypropyl]amino]butyl]benzamide
SMILESCC(O)C(N[C@H](C)CCc1ccc(C(N)=O)cc1)Oc1ccccc1F
InChIInChI=1S/C20H25FN2O3/c1-13(7-8-15-9-11-16(12-10-15)19(22)25)23-20(14(2)24)26-18-6-4-3-5-17(18)21/h3-6,9-14,20,23-24H,7-8H2,1-2H3,(H2,22,25)/t13-,14?,20?/m1/s1
InChIKeyCSIUOOXIWXXTDQ-WCGZIJFHSA-N
MW360.43 g/mol
LogP2.62
Rot. Bonds9

About 4-[(3R)-3-[[1-(2-fluorophenoxy)-2-hydroxypropyl]amino]butyl]benzamide

4-[(3R)-3-[[1-(2-fluorophenoxy)-2-hydroxypropyl]amino]butyl]benzamide (PubChem CID 67928254) has the molecular formula C20H25FN2O3 and a molecular weight of 360.43 g/mol. Its IUPAC name is 4-[(3R)-3-[[1-(2-fluorophenoxy)-2-hydroxypropyl]amino]butyl]benzamide.

Molecular Properties

Compound Name4-[(3R)-3-[[1-(2-fluorophenoxy)-2-hydroxypropyl]amino]butyl]benzamide
PubChem CID67928254
Molecular FormulaC20H25FN2O3
Molecular Weight360.43 g/mol
Exact Mass360.18
IUPAC Name4-[(3R)-3-[[1-(2-fluorophenoxy)-2-hydroxypropyl]amino]butyl]benzamide
SMILESCC(O)C(N[C@H](C)CCc1ccc(C(N)=O)cc1)Oc1ccccc1F
InChIInChI=1S/C20H25FN2O3/c1-13(7-8-15-9-11-16(12-10-15)19(22)25)23-20(14(2)24)26-18-6-4-3-5-17(18)21/h3-6,9-14,20,23-24H,7-8H2,1-2H3,(H2,22,25)/t13-,14?,20?/m1/s1
InChIKeyCSIUOOXIWXXTDQ-WCGZIJFHSA-N
XLogP2.62
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-[[1-(2-fluorophenoxy)-2-hydroxypropyl]amino]butyl]benzamide?
The IUPAC name of 4-[(3R)-3-[[1-(2-fluorophenoxy)-2-hydroxypropyl]amino]butyl]benzamide (CID 67928254) is 4-[(3R)-3-[[1-(2-fluorophenoxy)-2-hydroxypropyl]amino]butyl]benzamide.
What is the SMILES notation for 4-[(3R)-3-[[1-(2-fluorophenoxy)-2-hydroxypropyl]amino]butyl]benzamide?
The canonical SMILES for 4-[(3R)-3-[[1-(2-fluorophenoxy)-2-hydroxypropyl]amino]butyl]benzamide is CC(O)C(N[C@H](C)CCc1ccc(C(N)=O)cc1)Oc1ccccc1F.
What is the InChIKey of 4-[(3R)-3-[[1-(2-fluorophenoxy)-2-hydroxypropyl]amino]butyl]benzamide?
The InChIKey is CSIUOOXIWXXTDQ-WCGZIJFHSA-N. The full InChI is InChI=1S/C20H25FN2O3/c1-13(7-8-15-9-11-16(12-10-15)19(22)25)23-20(14(2)24)26-18-6-4-3-5-17(18)21/h3-6,9-14,20,23-24H,7-8H2,1-2H3,(H2,22,25)/t13-,14?,20?/m1/s1.
What are the key properties of 4-[(3R)-3-[[1-(2-fluorophenoxy)-2-hydroxypropyl]amino]butyl]benzamide?
4-[(3R)-3-[[1-(2-fluorophenoxy)-2-hydroxypropyl]amino]butyl]benzamide has a molecular weight of 360.43 g/mol, XLogP of 2.62, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-[[1-(2-fluorophenoxy)-2-hydroxypropyl]amino]butyl]benzamide is sourced from PubChem (CID 67928254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).