N-benzyl-3-(4-bromophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide

C21H17BrN2O3 — CID 4009871

IUPACN-benzyl-3-(4-bromophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide
SMILESO=C(NCc1ccccc1)C(C(=O)c1ccc(Br)cc1)n1ccccc1=O
InChIInChI=1S/C21H17BrN2O3/c22-17-11-9-16(10-12-17)20(26)19(24-13-5-4-8-18(24)25)21(27)23-14-15-6-2-1-3-7-15/h1-13,19H,14H2,(H,23,27)
InChIKeyMMRBYPYGHHYSLW-UHFFFAOYSA-N
MW425.28 g/mol
LogP3.35
Rot. Bonds6

About N-benzyl-3-(4-bromophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide

N-benzyl-3-(4-bromophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide (PubChem CID 4009871) has the molecular formula C21H17BrN2O3 and a molecular weight of 425.28 g/mol. Its IUPAC name is N-benzyl-3-(4-bromophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound NameN-benzyl-3-(4-bromophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide
PubChem CID4009871
Molecular FormulaC21H17BrN2O3
Molecular Weight425.28 g/mol
Exact Mass424.04
IUPAC NameN-benzyl-3-(4-bromophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide
SMILESO=C(NCc1ccccc1)C(C(=O)c1ccc(Br)cc1)n1ccccc1=O
InChIInChI=1S/C21H17BrN2O3/c22-17-11-9-16(10-12-17)20(26)19(24-13-5-4-8-18(24)25)21(27)23-14-15-6-2-1-3-7-15/h1-13,19H,14H2,(H,23,27)
InChIKeyMMRBYPYGHHYSLW-UHFFFAOYSA-N
XLogP3.35
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.28
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-benzyl-3-(4-bromophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(2S)-3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanoyl]amino]ethyl-dimethylazanium
CID 7233749
2-[[(2R)-3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanoyl]amino]ethyl-dimethylazanium
CID 7233747
(2S)-3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)propanamide
CID 7323647
[1-(benzylamino)-1-oxopropan-2-yl] 4-(4-bromophenyl)-4-oxobutanoate
CID 55306428
N-[(2S)-1-(benzylamino)-1,5-dioxopentan-2-yl]-4-bromobenzamide
CID 88910399
(2R)-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenyl-N,N-bis(prop-2-enyl)propanamide
CID 7233719
2-(5-chloro-2-oxo-1-pyridinyl)-3-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-3-oxopropanamide
CID 3160495
N-[1-(benzylamino)-3-[4-(hydroxyamino)-4-oxobutyl]sulfanyl-1-oxopropan-2-yl]-4-bromobenzamide
CID 85148519
N-benzyl-2-(5-bromo-2-oxo-1-pyridinyl)-3-(4-bromophenyl)-N-butyl-3-oxopropanamide
CID 3616676
(3S)-4-(benzylamino)-3-[(4-bromophenyl)methyl]-4-oxobutanoate
CID 6979206
4-bromo-N-[(4-bromophenyl)methyl]benzamide
CID 17384434
N-benzyl-3-(3-bromophenyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide
CID 5194201

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(4-bromophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide?
The IUPAC name of N-benzyl-3-(4-bromophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide (CID 4009871) is N-benzyl-3-(4-bromophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for N-benzyl-3-(4-bromophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide?
The canonical SMILES for N-benzyl-3-(4-bromophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide is O=C(NCc1ccccc1)C(C(=O)c1ccc(Br)cc1)n1ccccc1=O.
What is the InChIKey of N-benzyl-3-(4-bromophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide?
The InChIKey is MMRBYPYGHHYSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN2O3/c22-17-11-9-16(10-12-17)20(26)19(24-13-5-4-8-18(24)25)21(27)23-14-15-6-2-1-3-7-15/h1-13,19H,14H2,(H,23,27).
What are the key properties of N-benzyl-3-(4-bromophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide?
N-benzyl-3-(4-bromophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide has a molecular weight of 425.28 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(4-bromophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 4009871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).