N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-bromobenzamide

C17H15BrN2O3 — CID 162475674

IUPACN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-bromobenzamide
SMILESNC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1ccccc1Br
InChIInChI=1S/C17H15BrN2O3/c18-13-9-5-4-8-12(13)17(23)20-14(15(21)16(19)22)10-11-6-2-1-3-7-11/h1-9,14H,10H2,(H2,19,22)(H,20,23)
InChIKeyLOOLFQUCWLOZMH-UHFFFAOYSA-N
MW375.22 g/mol
LogP1.84
Rot. Bonds6

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-bromobenzamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-bromobenzamide (PubChem CID 162475674) has the molecular formula C17H15BrN2O3 and a molecular weight of 375.22 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-bromobenzamide.

Molecular Properties

Compound NameN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-bromobenzamide
PubChem CID162475674
Molecular FormulaC17H15BrN2O3
Molecular Weight375.22 g/mol
Exact Mass374.03
IUPAC NameN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-bromobenzamide
SMILESNC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1ccccc1Br
InChIInChI=1S/C17H15BrN2O3/c18-13-9-5-4-8-12(13)17(23)20-14(15(21)16(19)22)10-11-6-2-1-3-7-11/h1-9,14H,10H2,(H2,19,22)(H,20,23)
InChIKeyLOOLFQUCWLOZMH-UHFFFAOYSA-N
XLogP1.84
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.22
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-phenylbenzamide
CID 54553924
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-fluorobenzamide
CID 150964230
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-benzyl-1-methylpyrazole-4-carboxamide
CID 134396806
2-bromo-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzamide
CID 110322168
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-3-phenyl-1-propan-2-ylpyrazole-4-carboxamide
CID 142753522
2-[[(1R)-1-carboxy-2-phenylethyl]carbamoyl]benzoic acid
CID 149148944
2-bromo-N-(2-hydroxy-3-phenylpropyl)benzamide
CID 56765281
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-3-phenylfuran-2-carboxamide
CID 142753560
N-[(2S)-1-[[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-(2-methylanilino)benzamide
CID 46853792
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(5-phenyl-1H-imidazol-2-yl)pyridine-3-carboxamide
CID 46870400
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 70032001
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-1-cyclopropyl-3-phenylpyrazole-4-carboxamide
CID 142753814

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-bromobenzamide?
The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-bromobenzamide (CID 162475674) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-bromobenzamide.
What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-bromobenzamide?
The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-bromobenzamide is NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1ccccc1Br.
What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-bromobenzamide?
The InChIKey is LOOLFQUCWLOZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O3/c18-13-9-5-4-8-12(13)17(23)20-14(15(21)16(19)22)10-11-6-2-1-3-7-11/h1-9,14H,10H2,(H2,19,22)(H,20,23).
What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-bromobenzamide?
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-bromobenzamide has a molecular weight of 375.22 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-bromobenzamide is sourced from PubChem (CID 162475674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).