(4R,8R)-8-benzamido-N-[(3,5-difluorophenyl)methyl]-1-methyl-2-oxoazonane-4-carboxamide

C24H27F2N3O3 — CID 75411749

IUPAC(4R,8R)-8-benzamido-N-[(3,5-difluorophenyl)methyl]-1-methyl-2-oxoazonane-4-carboxamide
SMILESCN1C[C@H](NC(=O)c2ccccc2)CCC[C@@H](C(=O)NCc2cc(F)cc(F)c2)CC1=O
InChIInChI=1S/C24H27F2N3O3/c1-29-15-21(28-24(32)17-6-3-2-4-7-17)9-5-8-18(12-22(29)30)23(31)27-14-16-10-19(25)13-20(26)11-16/h2-4,6-7,10-11,13,18,21H,5,8-9,12,14-15H2,1H3,(H,27,31)(H,28,32)/t18-,21-/m1/s1
InChIKeyZDVKSJGUCXZASU-WIYYLYMNSA-N
MW443.49 g/mol
LogP3.03
Rot. Bonds5

About (4R,8R)-8-benzamido-N-[(3,5-difluorophenyl)methyl]-1-methyl-2-oxoazonane-4-carboxamide

(4R,8R)-8-benzamido-N-[(3,5-difluorophenyl)methyl]-1-methyl-2-oxoazonane-4-carboxamide (PubChem CID 75411749) has the molecular formula C24H27F2N3O3 and a molecular weight of 443.49 g/mol. Its IUPAC name is (4R,8R)-8-benzamido-N-[(3,5-difluorophenyl)methyl]-1-methyl-2-oxoazonane-4-carboxamide.

Molecular Properties

Compound Name(4R,8R)-8-benzamido-N-[(3,5-difluorophenyl)methyl]-1-methyl-2-oxoazonane-4-carboxamide
PubChem CID75411749
Molecular FormulaC24H27F2N3O3
Molecular Weight443.49 g/mol
Exact Mass443.20
IUPAC Name(4R,8R)-8-benzamido-N-[(3,5-difluorophenyl)methyl]-1-methyl-2-oxoazonane-4-carboxamide
SMILESCN1C[C@H](NC(=O)c2ccccc2)CCC[C@@H](C(=O)NCc2cc(F)cc(F)c2)CC1=O
InChIInChI=1S/C24H27F2N3O3/c1-29-15-21(28-24(32)17-6-3-2-4-7-17)9-5-8-18(12-22(29)30)23(31)27-14-16-10-19(25)13-20(26)11-16/h2-4,6-7,10-11,13,18,21H,5,8-9,12,14-15H2,1H3,(H,27,31)(H,28,32)/t18-,21-/m1/s1
InChIKeyZDVKSJGUCXZASU-WIYYLYMNSA-N
XLogP3.03
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.49
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4R,8R)-8-benzamido-N-[(3,5-difluorophenyl)methyl]-1-methyl-2-oxoazonane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R,8R)-8-benzamido-N-[(3,5-difluorophenyl)methyl]-1-methyl-2-oxoazonane-4-carboxamide?
The IUPAC name of (4R,8R)-8-benzamido-N-[(3,5-difluorophenyl)methyl]-1-methyl-2-oxoazonane-4-carboxamide (CID 75411749) is (4R,8R)-8-benzamido-N-[(3,5-difluorophenyl)methyl]-1-methyl-2-oxoazonane-4-carboxamide.
What is the SMILES notation for (4R,8R)-8-benzamido-N-[(3,5-difluorophenyl)methyl]-1-methyl-2-oxoazonane-4-carboxamide?
The canonical SMILES for (4R,8R)-8-benzamido-N-[(3,5-difluorophenyl)methyl]-1-methyl-2-oxoazonane-4-carboxamide is CN1C[C@H](NC(=O)c2ccccc2)CCC[C@@H](C(=O)NCc2cc(F)cc(F)c2)CC1=O.
What is the InChIKey of (4R,8R)-8-benzamido-N-[(3,5-difluorophenyl)methyl]-1-methyl-2-oxoazonane-4-carboxamide?
The InChIKey is ZDVKSJGUCXZASU-WIYYLYMNSA-N. The full InChI is InChI=1S/C24H27F2N3O3/c1-29-15-21(28-24(32)17-6-3-2-4-7-17)9-5-8-18(12-22(29)30)23(31)27-14-16-10-19(25)13-20(26)11-16/h2-4,6-7,10-11,13,18,21H,5,8-9,12,14-15H2,1H3,(H,27,31)(H,28,32)/t18-,21-/m1/s1.
What are the key properties of (4R,8R)-8-benzamido-N-[(3,5-difluorophenyl)methyl]-1-methyl-2-oxoazonane-4-carboxamide?
(4R,8R)-8-benzamido-N-[(3,5-difluorophenyl)methyl]-1-methyl-2-oxoazonane-4-carboxamide has a molecular weight of 443.49 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,8R)-8-benzamido-N-[(3,5-difluorophenyl)methyl]-1-methyl-2-oxoazonane-4-carboxamide is sourced from PubChem (CID 75411749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).