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

C20H25FN2O3 — CID 67928258

IUPAC4-[(3R)-3-[[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butyl]benzamide
SMILESC[C@H](CCc1ccc(C(N)=O)cc1)NC[C@H](O)COc1ccccc1F
InChIInChI=1S/C20H25FN2O3/c1-14(6-7-15-8-10-16(11-9-15)20(22)25)23-12-17(24)13-26-19-5-3-2-4-18(19)21/h2-5,8-11,14,17,23-24H,6-7,12-13H2,1H3,(H2,22,25)/t14-,17+/m1/s1
InChIKeyXTMHGSHMWVQSJB-PBHICJAKSA-N
MW360.43 g/mol
LogP2.28
Rot. Bonds10

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

4-[(3R)-3-[[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butyl]benzamide (PubChem CID 67928258) has the molecular formula C20H25FN2O3 and a molecular weight of 360.43 g/mol. Its IUPAC name is 4-[(3R)-3-[[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butyl]benzamide.

Molecular Properties

Compound Name4-[(3R)-3-[[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butyl]benzamide
PubChem CID67928258
Molecular FormulaC20H25FN2O3
Molecular Weight360.43 g/mol
Exact Mass360.18
IUPAC Name4-[(3R)-3-[[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butyl]benzamide
SMILESC[C@H](CCc1ccc(C(N)=O)cc1)NC[C@H](O)COc1ccccc1F
InChIInChI=1S/C20H25FN2O3/c1-14(6-7-15-8-10-16(11-9-15)20(22)25)23-12-17(24)13-26-19-5-3-2-4-18(19)21/h2-5,8-11,14,17,23-24H,6-7,12-13H2,1H3,(H2,22,25)/t14-,17+/m1/s1
InChIKeyXTMHGSHMWVQSJB-PBHICJAKSA-N
XLogP2.28
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-[[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butyl]benzamide?
The IUPAC name of 4-[(3R)-3-[[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butyl]benzamide (CID 67928258) is 4-[(3R)-3-[[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butyl]benzamide.
What is the SMILES notation for 4-[(3R)-3-[[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butyl]benzamide?
The canonical SMILES for 4-[(3R)-3-[[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butyl]benzamide is C[C@H](CCc1ccc(C(N)=O)cc1)NC[C@H](O)COc1ccccc1F.
What is the InChIKey of 4-[(3R)-3-[[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butyl]benzamide?
The InChIKey is XTMHGSHMWVQSJB-PBHICJAKSA-N. The full InChI is InChI=1S/C20H25FN2O3/c1-14(6-7-15-8-10-16(11-9-15)20(22)25)23-12-17(24)13-26-19-5-3-2-4-18(19)21/h2-5,8-11,14,17,23-24H,6-7,12-13H2,1H3,(H2,22,25)/t14-,17+/m1/s1.
What are the key properties of 4-[(3R)-3-[[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butyl]benzamide?
4-[(3R)-3-[[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butyl]benzamide has a molecular weight of 360.43 g/mol, XLogP of 2.28, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-[[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butyl]benzamide is sourced from PubChem (CID 67928258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).