4-[(3R)-3-[[2-(2-fluorophenyl)-2-oxoethyl]amino]butyl]benzamide

C19H21FN2O2 — CID 23647081

IUPAC4-[(3R)-3-[[2-(2-fluorophenyl)-2-oxoethyl]amino]butyl]benzamide
SMILESC[C@H](CCc1ccc(C(N)=O)cc1)NCC(=O)c1ccccc1F
InChIInChI=1S/C19H21FN2O2/c1-13(6-7-14-8-10-15(11-9-14)19(21)24)22-12-18(23)16-4-2-3-5-17(16)20/h2-5,8-11,13,22H,6-7,12H2,1H3,(H2,21,24)/t13-/m1/s1
InChIKeyIDLXJGUCYFYTPW-CYBMUJFWSA-N
MW328.39 g/mol
LogP2.72
Rot. Bonds8

About 4-[(3R)-3-[[2-(2-fluorophenyl)-2-oxoethyl]amino]butyl]benzamide

4-[(3R)-3-[[2-(2-fluorophenyl)-2-oxoethyl]amino]butyl]benzamide (PubChem CID 23647081) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 4-[(3R)-3-[[2-(2-fluorophenyl)-2-oxoethyl]amino]butyl]benzamide.

Molecular Properties

Compound Name4-[(3R)-3-[[2-(2-fluorophenyl)-2-oxoethyl]amino]butyl]benzamide
PubChem CID23647081
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name4-[(3R)-3-[[2-(2-fluorophenyl)-2-oxoethyl]amino]butyl]benzamide
SMILESC[C@H](CCc1ccc(C(N)=O)cc1)NCC(=O)c1ccccc1F
InChIInChI=1S/C19H21FN2O2/c1-13(6-7-14-8-10-15(11-9-14)19(21)24)22-12-18(23)16-4-2-3-5-17(16)20/h2-5,8-11,13,22H,6-7,12H2,1H3,(H2,21,24)/t13-/m1/s1
InChIKeyIDLXJGUCYFYTPW-CYBMUJFWSA-N
XLogP2.72
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-[[2-(2-fluorophenyl)-2-oxoethyl]amino]butyl]benzamide?
The IUPAC name of 4-[(3R)-3-[[2-(2-fluorophenyl)-2-oxoethyl]amino]butyl]benzamide (CID 23647081) is 4-[(3R)-3-[[2-(2-fluorophenyl)-2-oxoethyl]amino]butyl]benzamide.
What is the SMILES notation for 4-[(3R)-3-[[2-(2-fluorophenyl)-2-oxoethyl]amino]butyl]benzamide?
The canonical SMILES for 4-[(3R)-3-[[2-(2-fluorophenyl)-2-oxoethyl]amino]butyl]benzamide is C[C@H](CCc1ccc(C(N)=O)cc1)NCC(=O)c1ccccc1F.
What is the InChIKey of 4-[(3R)-3-[[2-(2-fluorophenyl)-2-oxoethyl]amino]butyl]benzamide?
The InChIKey is IDLXJGUCYFYTPW-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-13(6-7-14-8-10-15(11-9-14)19(21)24)22-12-18(23)16-4-2-3-5-17(16)20/h2-5,8-11,13,22H,6-7,12H2,1H3,(H2,21,24)/t13-/m1/s1.
What are the key properties of 4-[(3R)-3-[[2-(2-fluorophenyl)-2-oxoethyl]amino]butyl]benzamide?
4-[(3R)-3-[[2-(2-fluorophenyl)-2-oxoethyl]amino]butyl]benzamide has a molecular weight of 328.39 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-[[2-(2-fluorophenyl)-2-oxoethyl]amino]butyl]benzamide is sourced from PubChem (CID 23647081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).