N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]benzamide

C14H12BrN3O2 — CID 43520523

IUPACN-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)Nc1cccc(Br)n1
InChIInChI=1S/C14H12BrN3O2/c15-11-7-4-8-12(17-11)18-13(19)9-16-14(20)10-5-2-1-3-6-10/h1-8H,9H2,(H,16,20)(H,17,18,19)
InChIKeyIFMKAKSNCXCIOH-UHFFFAOYSA-N
MW334.17 g/mol
LogP2.21
Rot. Bonds4

About N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]benzamide

N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]benzamide (PubChem CID 43520523) has the molecular formula C14H12BrN3O2 and a molecular weight of 334.17 g/mol. Its IUPAC name is N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]benzamide
PubChem CID43520523
Molecular FormulaC14H12BrN3O2
Molecular Weight334.17 g/mol
Exact Mass333.01
IUPAC NameN-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)Nc1cccc(Br)n1
InChIInChI=1S/C14H12BrN3O2/c15-11-7-4-8-12(17-11)18-13(19)9-16-14(20)10-5-2-1-3-6-10/h1-8H,9H2,(H,16,20)(H,17,18,19)
InChIKeyIFMKAKSNCXCIOH-UHFFFAOYSA-N
XLogP2.21
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(6-bromo-2-pyridinyl)benzamide
CID 43520453
N-(6-bromo-2-pyridinyl)-4-hydroxybenzamide
CID 43520413
N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 2968363
N-[2-(2-bromo-3-chloroanilino)-2-oxoethyl]benzamide
CID 103480014
N-(6-bromo-2-pyridinyl)-2-(cyclobutylamino)acetamide;ethane
CID 142496162
N-[2-[(5-iodo-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 65098946
N-(6-bromo-2-pyridinyl)but-3-enamide
CID 62677588
3,5-dibromo-N-(6-bromo-2-pyridinyl)benzamide
CID 114022639
2-bromo-N-(6-bromo-2-pyridinyl)benzamide
CID 43520587
N-[6-(3,3-dimethylbutanoylamino)-2-pyridinyl]benzamide
CID 102532470
N-[2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 110671903
N-[2-(2,3-difluoroanilino)-2-oxoethyl]benzamide
CID 155977265

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]benzamide (CID 43520523) is N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccccc1)Nc1cccc(Br)n1.
What is the InChIKey of N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]benzamide?
The InChIKey is IFMKAKSNCXCIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O2/c15-11-7-4-8-12(17-11)18-13(19)9-16-14(20)10-5-2-1-3-6-10/h1-8H,9H2,(H,16,20)(H,17,18,19).
What are the key properties of N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]benzamide?
N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]benzamide has a molecular weight of 334.17 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 43520523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).