2-benzamido-N-[(2R)-1-(4-bromoanilino)-3-methyl-1-oxobutan-2-yl]benzamide

C25H24BrN3O3 — CID 1340022

IUPAC2-benzamido-N-[(2R)-1-(4-bromoanilino)-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCC(C)[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C25H24BrN3O3/c1-16(2)22(25(32)27-19-14-12-18(26)13-15-19)29-24(31)20-10-6-7-11-21(20)28-23(30)17-8-4-3-5-9-17/h3-16,22H,1-2H3,(H,27,32)(H,28,30)(H,29,31)/t22-/m1/s1
InChIKeySHGFGTRFGPLOMH-JOCHJYFZSA-N
MW494.39 g/mol
LogP5.09
Rot. Bonds7

About 2-benzamido-N-[(2R)-1-(4-bromoanilino)-3-methyl-1-oxobutan-2-yl]benzamide

2-benzamido-N-[(2R)-1-(4-bromoanilino)-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 1340022) has the molecular formula C25H24BrN3O3 and a molecular weight of 494.39 g/mol. Its IUPAC name is 2-benzamido-N-[(2R)-1-(4-bromoanilino)-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name2-benzamido-N-[(2R)-1-(4-bromoanilino)-3-methyl-1-oxobutan-2-yl]benzamide
PubChem CID1340022
Molecular FormulaC25H24BrN3O3
Molecular Weight494.39 g/mol
Exact Mass493.10
IUPAC Name2-benzamido-N-[(2R)-1-(4-bromoanilino)-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCC(C)[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C25H24BrN3O3/c1-16(2)22(25(32)27-19-14-12-18(26)13-15-19)29-24(31)20-10-6-7-11-21(20)28-23(30)17-8-4-3-5-9-17/h3-16,22H,1-2H3,(H,27,32)(H,28,30)(H,29,31)/t22-/m1/s1
InChIKeySHGFGTRFGPLOMH-JOCHJYFZSA-N
XLogP5.09
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.39
LogP ≤ 55.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-benzamido-N-[(2R)-1-(4-bromoanilino)-3-methyl-1-oxobutan-2-yl]benzamide with MolForge

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Related Compounds

ethyl 4-[[(2R)-2-[(2-benzamidobenzoyl)amino]-3-methylbutanoyl]amino]benzoate
CID 41190715
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2-[(4-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide
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2-benzamido-N-[(2S)-1-(cycloheptylamino)-3-methyl-1-oxobutan-2-yl]benzamide
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CID 126011313
2-benzamido-N-[3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide
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CID 17391080
2-[(4-methoxybenzoyl)amino]-N-[1-[2-(4-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
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2-benzamido-N-[1-(2-benzoylhydrazinyl)-3-methyl-1-oxopentan-2-yl]benzamide
CID 3455596
N-[(2S)-1-(4-chloroanilino)-3-methyl-1-oxobutan-2-yl]-2-hydroxybenzamide
CID 102165998
2-methyl-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 2-benzamido-N-[(2R)-1-(4-bromoanilino)-3-methyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of 2-benzamido-N-[(2R)-1-(4-bromoanilino)-3-methyl-1-oxobutan-2-yl]benzamide (CID 1340022) is 2-benzamido-N-[(2R)-1-(4-bromoanilino)-3-methyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 2-benzamido-N-[(2R)-1-(4-bromoanilino)-3-methyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 2-benzamido-N-[(2R)-1-(4-bromoanilino)-3-methyl-1-oxobutan-2-yl]benzamide is CC(C)[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of 2-benzamido-N-[(2R)-1-(4-bromoanilino)-3-methyl-1-oxobutan-2-yl]benzamide?
The InChIKey is SHGFGTRFGPLOMH-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H24BrN3O3/c1-16(2)22(25(32)27-19-14-12-18(26)13-15-19)29-24(31)20-10-6-7-11-21(20)28-23(30)17-8-4-3-5-9-17/h3-16,22H,1-2H3,(H,27,32)(H,28,30)(H,29,31)/t22-/m1/s1.
What are the key properties of 2-benzamido-N-[(2R)-1-(4-bromoanilino)-3-methyl-1-oxobutan-2-yl]benzamide?
2-benzamido-N-[(2R)-1-(4-bromoanilino)-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 494.39 g/mol, XLogP of 5.09, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-N-[(2R)-1-(4-bromoanilino)-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 1340022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).