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

C19H20F2N2O2 — CID 23647080

IUPAC4-[(3R)-3-[[2-(3,4-difluorophenyl)-2-oxoethyl]amino]butyl]benzamide
SMILESC[C@H](CCc1ccc(C(N)=O)cc1)NCC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C19H20F2N2O2/c1-12(2-3-13-4-6-14(7-5-13)19(22)25)23-11-18(24)15-8-9-16(20)17(21)10-15/h4-10,12,23H,2-3,11H2,1H3,(H2,22,25)/t12-/m1/s1
InChIKeyUVQQKWLGLLGFQP-GFCCVEGCSA-N
MW346.38 g/mol
LogP2.86
Rot. Bonds8

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

4-[(3R)-3-[[2-(3,4-difluorophenyl)-2-oxoethyl]amino]butyl]benzamide (PubChem CID 23647080) has the molecular formula C19H20F2N2O2 and a molecular weight of 346.38 g/mol. Its IUPAC name is 4-[(3R)-3-[[2-(3,4-difluorophenyl)-2-oxoethyl]amino]butyl]benzamide.

Molecular Properties

Compound Name4-[(3R)-3-[[2-(3,4-difluorophenyl)-2-oxoethyl]amino]butyl]benzamide
PubChem CID23647080
Molecular FormulaC19H20F2N2O2
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name4-[(3R)-3-[[2-(3,4-difluorophenyl)-2-oxoethyl]amino]butyl]benzamide
SMILESC[C@H](CCc1ccc(C(N)=O)cc1)NCC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C19H20F2N2O2/c1-12(2-3-13-4-6-14(7-5-13)19(22)25)23-11-18(24)15-8-9-16(20)17(21)10-15/h4-10,12,23H,2-3,11H2,1H3,(H2,22,25)/t12-/m1/s1
InChIKeyUVQQKWLGLLGFQP-GFCCVEGCSA-N
XLogP2.86
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.86
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-(3,4-difluorophenyl)-2-oxoethyl]amino]butyl]benzamide?
The IUPAC name of 4-[(3R)-3-[[2-(3,4-difluorophenyl)-2-oxoethyl]amino]butyl]benzamide (CID 23647080) is 4-[(3R)-3-[[2-(3,4-difluorophenyl)-2-oxoethyl]amino]butyl]benzamide.
What is the SMILES notation for 4-[(3R)-3-[[2-(3,4-difluorophenyl)-2-oxoethyl]amino]butyl]benzamide?
The canonical SMILES for 4-[(3R)-3-[[2-(3,4-difluorophenyl)-2-oxoethyl]amino]butyl]benzamide is C[C@H](CCc1ccc(C(N)=O)cc1)NCC(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 4-[(3R)-3-[[2-(3,4-difluorophenyl)-2-oxoethyl]amino]butyl]benzamide?
The InChIKey is UVQQKWLGLLGFQP-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H20F2N2O2/c1-12(2-3-13-4-6-14(7-5-13)19(22)25)23-11-18(24)15-8-9-16(20)17(21)10-15/h4-10,12,23H,2-3,11H2,1H3,(H2,22,25)/t12-/m1/s1.
What are the key properties of 4-[(3R)-3-[[2-(3,4-difluorophenyl)-2-oxoethyl]amino]butyl]benzamide?
4-[(3R)-3-[[2-(3,4-difluorophenyl)-2-oxoethyl]amino]butyl]benzamide has a molecular weight of 346.38 g/mol, XLogP of 2.86, 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-(3,4-difluorophenyl)-2-oxoethyl]amino]butyl]benzamide is sourced from PubChem (CID 23647080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).