N-[1-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide

C25H24BrN3O3 — CID 24818056

IUPACN-[1-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESCN(CC(=O)Nc1ccccc1Br)C(=O)C(Cc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C25H24BrN3O3/c1-29(17-23(30)27-21-15-9-8-14-20(21)26)25(32)22(16-18-10-4-2-5-11-18)28-24(31)19-12-6-3-7-13-19/h2-15,22H,16-17H2,1H3,(H,27,30)(H,28,31)
InChIKeyDWIWBHQDLZRHBM-UHFFFAOYSA-N
MW494.39 g/mol
LogP3.89
Rot. Bonds8

About N-[1-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide

N-[1-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide (PubChem CID 24818056) has the molecular formula C25H24BrN3O3 and a molecular weight of 494.39 g/mol. Its IUPAC name is N-[1-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
PubChem CID24818056
Molecular FormulaC25H24BrN3O3
Molecular Weight494.39 g/mol
Exact Mass493.10
IUPAC NameN-[1-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESCN(CC(=O)Nc1ccccc1Br)C(=O)C(Cc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C25H24BrN3O3/c1-29(17-23(30)27-21-15-9-8-14-20(21)26)25(32)22(16-18-10-4-2-5-11-18)28-24(31)19-12-6-3-7-13-19/h2-15,22H,16-17H2,1H3,(H,27,30)(H,28,31)
InChIKeyDWIWBHQDLZRHBM-UHFFFAOYSA-N
XLogP3.89
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.39
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The IUPAC name of N-[1-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide (CID 24818056) is N-[1-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide.
What is the SMILES notation for N-[1-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The canonical SMILES for N-[1-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide is CN(CC(=O)Nc1ccccc1Br)C(=O)C(Cc1ccccc1)NC(=O)c1ccccc1.
What is the InChIKey of N-[1-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The InChIKey is DWIWBHQDLZRHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24BrN3O3/c1-29(17-23(30)27-21-15-9-8-14-20(21)26)25(32)22(16-18-10-4-2-5-11-18)28-24(31)19-12-6-3-7-13-19/h2-15,22H,16-17H2,1H3,(H,27,30)(H,28,31).
What are the key properties of N-[1-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide?
N-[1-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide has a molecular weight of 494.39 g/mol, XLogP of 3.89, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 24818056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).