N-benzyl-2-[[2-[ethyl-[(3-fluorophenyl)methyl]amino]acetyl]amino]benzamide

C25H26FN3O2 — CID 26649782

IUPACN-benzyl-2-[[2-[ethyl-[(3-fluorophenyl)methyl]amino]acetyl]amino]benzamide
SMILESCCN(CC(=O)Nc1ccccc1C(=O)NCc1ccccc1)Cc1cccc(F)c1
InChIInChI=1S/C25H26FN3O2/c1-2-29(17-20-11-8-12-21(26)15-20)18-24(30)28-23-14-7-6-13-22(23)25(31)27-16-19-9-4-3-5-10-19/h3-15H,2,16-18H2,1H3,(H,27,31)(H,28,30)
InChIKeyDSOWXLRFXMUGAL-UHFFFAOYSA-N
MW419.50 g/mol
LogP4.22
Rot. Bonds9

About N-benzyl-2-[[2-[ethyl-[(3-fluorophenyl)methyl]amino]acetyl]amino]benzamide

N-benzyl-2-[[2-[ethyl-[(3-fluorophenyl)methyl]amino]acetyl]amino]benzamide (PubChem CID 26649782) has the molecular formula C25H26FN3O2 and a molecular weight of 419.50 g/mol. Its IUPAC name is N-benzyl-2-[[2-[ethyl-[(3-fluorophenyl)methyl]amino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-2-[[2-[ethyl-[(3-fluorophenyl)methyl]amino]acetyl]amino]benzamide
PubChem CID26649782
Molecular FormulaC25H26FN3O2
Molecular Weight419.50 g/mol
Exact Mass419.20
IUPAC NameN-benzyl-2-[[2-[ethyl-[(3-fluorophenyl)methyl]amino]acetyl]amino]benzamide
SMILESCCN(CC(=O)Nc1ccccc1C(=O)NCc1ccccc1)Cc1cccc(F)c1
InChIInChI=1S/C25H26FN3O2/c1-2-29(17-20-11-8-12-21(26)15-20)18-24(30)28-23-14-7-6-13-22(23)25(31)27-16-19-9-4-3-5-10-19/h3-15H,2,16-18H2,1H3,(H,27,31)(H,28,30)
InChIKeyDSOWXLRFXMUGAL-UHFFFAOYSA-N
XLogP4.22
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[ethyl-[(3-fluorophenyl)methyl]amino]-N-(4-methylsulfonylphenyl)acetamide
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N-benzyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 895615
N-(tert-butylcarbamoyl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide
CID 51200030
N-benzyl-2-[[2-(2,5-dimethylphenyl)acetyl]amino]benzamide
CID 92646177
N-[2-[[3-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-3-fluorobenzamide
CID 78902086
N-[(3-fluorophenyl)methyl]-2-iodobenzamide
CID 46447840
N-benzyl-2-(heptanoylamino)benzamide
CID 54789241
N-benzyl-2-[[2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 126032362

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[2-[ethyl-[(3-fluorophenyl)methyl]amino]acetyl]amino]benzamide?
The IUPAC name of N-benzyl-2-[[2-[ethyl-[(3-fluorophenyl)methyl]amino]acetyl]amino]benzamide (CID 26649782) is N-benzyl-2-[[2-[ethyl-[(3-fluorophenyl)methyl]amino]acetyl]amino]benzamide.
What is the SMILES notation for N-benzyl-2-[[2-[ethyl-[(3-fluorophenyl)methyl]amino]acetyl]amino]benzamide?
The canonical SMILES for N-benzyl-2-[[2-[ethyl-[(3-fluorophenyl)methyl]amino]acetyl]amino]benzamide is CCN(CC(=O)Nc1ccccc1C(=O)NCc1ccccc1)Cc1cccc(F)c1.
What is the InChIKey of N-benzyl-2-[[2-[ethyl-[(3-fluorophenyl)methyl]amino]acetyl]amino]benzamide?
The InChIKey is DSOWXLRFXMUGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O2/c1-2-29(17-20-11-8-12-21(26)15-20)18-24(30)28-23-14-7-6-13-22(23)25(31)27-16-19-9-4-3-5-10-19/h3-15H,2,16-18H2,1H3,(H,27,31)(H,28,30).
What are the key properties of N-benzyl-2-[[2-[ethyl-[(3-fluorophenyl)methyl]amino]acetyl]amino]benzamide?
N-benzyl-2-[[2-[ethyl-[(3-fluorophenyl)methyl]amino]acetyl]amino]benzamide has a molecular weight of 419.50 g/mol, XLogP of 4.22, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[2-[ethyl-[(3-fluorophenyl)methyl]amino]acetyl]amino]benzamide is sourced from PubChem (CID 26649782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).