2-benzoyl-N-[[3-(butanoylamino)phenyl]methyl]benzamide

C25H24N2O3 — CID 60515223

IUPAC2-benzoyl-N-[[3-(butanoylamino)phenyl]methyl]benzamide
SMILESCCCC(=O)Nc1cccc(CNC(=O)c2ccccc2C(=O)c2ccccc2)c1
InChIInChI=1S/C25H24N2O3/c1-2-9-23(28)27-20-13-8-10-18(16-20)17-26-25(30)22-15-7-6-14-21(22)24(29)19-11-4-3-5-12-19/h3-8,10-16H,2,9,17H2,1H3,(H,26,30)(H,27,28)
InChIKeyYDKNGWQUTKNKCT-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.59
Rot. Bonds8

About 2-benzoyl-N-[[3-(butanoylamino)phenyl]methyl]benzamide

2-benzoyl-N-[[3-(butanoylamino)phenyl]methyl]benzamide (PubChem CID 60515223) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-benzoyl-N-[[3-(butanoylamino)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-benzoyl-N-[[3-(butanoylamino)phenyl]methyl]benzamide
PubChem CID60515223
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Name2-benzoyl-N-[[3-(butanoylamino)phenyl]methyl]benzamide
SMILESCCCC(=O)Nc1cccc(CNC(=O)c2ccccc2C(=O)c2ccccc2)c1
InChIInChI=1S/C25H24N2O3/c1-2-9-23(28)27-20-13-8-10-18(16-20)17-26-25(30)22-15-7-6-14-21(22)24(29)19-11-4-3-5-12-19/h3-8,10-16H,2,9,17H2,1H3,(H,26,30)(H,27,28)
InChIKeyYDKNGWQUTKNKCT-UHFFFAOYSA-N
XLogP4.59
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(butanoylamino)phenyl]methyl]-2-methylsulfonylbenzamide
CID 87001535
N-[2-[[3-(butanoylamino)phenyl]methylamino]-2-oxoethyl]-2-chlorobenzamide
CID 51120300
N-[[3-(butanoylamino)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 60515059
2-benzoyl-N-[(3-ethoxyphenyl)methyl]benzamide
CID 55843893
N-[[3-(butanoylamino)phenyl]methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 55844693
N-[3-[[(N,N'-dimethylcarbamimidoyl)amino]methyl]phenyl]butanamide;hydroiodide
CID 110915904
[2-(3-ethylanilino)-2-oxoethyl] 2-benzoylbenzoate
CID 7764296
N,N'-bis[3-(benzylcarbamoyl)phenyl]nonanediamide
CID 43887216
2-(4-methylbenzoyl)-N-[[3-(sulfamoylamino)phenyl]methyl]benzamide
CID 39976343
[3-[[3-(3-phenylpropanoylamino)phenyl]methylcarbamoyl]phenyl] acetate
CID 108929114
N-[[3-(butanoylamino)phenyl]methyl]-4-(methylamino)-3-nitrobenzamide
CID 60515221
2-(4-bromobenzoyl)-N-[[3-(methanesulfonamido)phenyl]methyl]benzamide
CID 32535159

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-N-[[3-(butanoylamino)phenyl]methyl]benzamide?
The IUPAC name of 2-benzoyl-N-[[3-(butanoylamino)phenyl]methyl]benzamide (CID 60515223) is 2-benzoyl-N-[[3-(butanoylamino)phenyl]methyl]benzamide.
What is the SMILES notation for 2-benzoyl-N-[[3-(butanoylamino)phenyl]methyl]benzamide?
The canonical SMILES for 2-benzoyl-N-[[3-(butanoylamino)phenyl]methyl]benzamide is CCCC(=O)Nc1cccc(CNC(=O)c2ccccc2C(=O)c2ccccc2)c1.
What is the InChIKey of 2-benzoyl-N-[[3-(butanoylamino)phenyl]methyl]benzamide?
The InChIKey is YDKNGWQUTKNKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-2-9-23(28)27-20-13-8-10-18(16-20)17-26-25(30)22-15-7-6-14-21(22)24(29)19-11-4-3-5-12-19/h3-8,10-16H,2,9,17H2,1H3,(H,26,30)(H,27,28).
What are the key properties of 2-benzoyl-N-[[3-(butanoylamino)phenyl]methyl]benzamide?
2-benzoyl-N-[[3-(butanoylamino)phenyl]methyl]benzamide has a molecular weight of 400.48 g/mol, XLogP of 4.59, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-N-[[3-(butanoylamino)phenyl]methyl]benzamide is sourced from PubChem (CID 60515223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).