2-(N-acetyl-2-bromoanilino)-N-(pyridin-4-ylmethyl)acetamide

C16H16BrN3O2 — CID 113177799

IUPAC2-(N-acetyl-2-bromoanilino)-N-(pyridin-4-ylmethyl)acetamide
SMILESCC(=O)N(CC(=O)NCc1ccncc1)c1ccccc1Br
InChIInChI=1S/C16H16BrN3O2/c1-12(21)20(15-5-3-2-4-14(15)17)11-16(22)19-10-13-6-8-18-9-7-13/h2-9H,10-11H2,1H3,(H,19,22)
InChIKeyXMAIXLZPPWAKHR-UHFFFAOYSA-N
MW362.23 g/mol
LogP2.51
Rot. Bonds5

About 2-(N-acetyl-2-bromoanilino)-N-(pyridin-4-ylmethyl)acetamide

2-(N-acetyl-2-bromoanilino)-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 113177799) has the molecular formula C16H16BrN3O2 and a molecular weight of 362.23 g/mol. Its IUPAC name is 2-(N-acetyl-2-bromoanilino)-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2-bromoanilino)-N-(pyridin-4-ylmethyl)acetamide
PubChem CID113177799
Molecular FormulaC16H16BrN3O2
Molecular Weight362.23 g/mol
Exact Mass361.04
IUPAC Name2-(N-acetyl-2-bromoanilino)-N-(pyridin-4-ylmethyl)acetamide
SMILESCC(=O)N(CC(=O)NCc1ccncc1)c1ccccc1Br
InChIInChI=1S/C16H16BrN3O2/c1-12(21)20(15-5-3-2-4-14(15)17)11-16(22)19-10-13-6-8-18-9-7-13/h2-9H,10-11H2,1H3,(H,19,22)
InChIKeyXMAIXLZPPWAKHR-UHFFFAOYSA-N
XLogP2.51
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.23
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(N-acetyl-2-bromoanilino)-N-(pyridin-4-ylmethyl)acetamide 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-(N-acetyl-2-ethylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113169052
2-(N-acetyl-2,4-dichloroanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113179578
2-(N-acetyl-2-bromoanilino)-N-(3-methylbutyl)acetamide
CID 113177811
2-(N-acetyl-3,5-dimethylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113168470
2-(N-acetyl-2,5-dimethoxyanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113174544
2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113180325
2-(N-acetyl-4-propan-2-ylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113169785
2-(N-acetyl-3-chloro-2-methylanilino)-N-benzylacetamide
CID 113171684
2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)acetamide
CID 113175276
2-(N-acetyl-2-bromo-4-methylanilino)-N-[(3-methylphenyl)methyl]acetamide
CID 113178005
3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)propanamide
CID 113130337
2-(N-acetyl-2-bromoanilino)-N-(2-methylphenyl)acetamide
CID 113177819

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2-bromoanilino)-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-(N-acetyl-2-bromoanilino)-N-(pyridin-4-ylmethyl)acetamide (CID 113177799) is 2-(N-acetyl-2-bromoanilino)-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-2-bromoanilino)-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-(N-acetyl-2-bromoanilino)-N-(pyridin-4-ylmethyl)acetamide is CC(=O)N(CC(=O)NCc1ccncc1)c1ccccc1Br.
What is the InChIKey of 2-(N-acetyl-2-bromoanilino)-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is XMAIXLZPPWAKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O2/c1-12(21)20(15-5-3-2-4-14(15)17)11-16(22)19-10-13-6-8-18-9-7-13/h2-9H,10-11H2,1H3,(H,19,22).
What are the key properties of 2-(N-acetyl-2-bromoanilino)-N-(pyridin-4-ylmethyl)acetamide?
2-(N-acetyl-2-bromoanilino)-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 362.23 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2-bromoanilino)-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 113177799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).