2-(4-bromo-3-methylanilino)-N-(pyridin-2-ylmethyl)acetamide

C15H16BrN3O — CID 108999310

IUPAC2-(4-bromo-3-methylanilino)-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1cc(NCC(=O)NCc2ccccn2)ccc1Br
InChIInChI=1S/C15H16BrN3O/c1-11-8-12(5-6-14(11)16)18-10-15(20)19-9-13-4-2-3-7-17-13/h2-8,18H,9-10H2,1H3,(H,19,20)
InChIKeyDAWGUVRFRJHWDO-UHFFFAOYSA-N
MW334.22 g/mol
LogP2.88
Rot. Bonds5

About 2-(4-bromo-3-methylanilino)-N-(pyridin-2-ylmethyl)acetamide

2-(4-bromo-3-methylanilino)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 108999310) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 2-(4-bromo-3-methylanilino)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-3-methylanilino)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID108999310
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name2-(4-bromo-3-methylanilino)-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1cc(NCC(=O)NCc2ccccn2)ccc1Br
InChIInChI=1S/C15H16BrN3O/c1-11-8-12(5-6-14(11)16)18-10-15(20)19-9-13-4-2-3-7-17-13/h2-8,18H,9-10H2,1H3,(H,19,20)
InChIKeyDAWGUVRFRJHWDO-UHFFFAOYSA-N
XLogP2.88
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999339
2-(4-acetamidoanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999289
5-(4-bromo-3-methylanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109235030
N-(pyridin-2-ylmethyl)-2-[4-(trifluoromethyl)anilino]acetamide
CID 108999285
N-(4-bromo-3-methylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109306996
2-(2-ethyl-6-methylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999251
2-(4-phenylmethoxyanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999304
2-(4-bromo-3-methylanilino)-N-(3-methylbutyl)acetamide
CID 60671753
2-(2-ethylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999248
2-(2-tert-butylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999257
N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]propanamide
CID 47412168
N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylanilino)acetamide
CID 109007435

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylanilino)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-bromo-3-methylanilino)-N-(pyridin-2-ylmethyl)acetamide (CID 108999310) is 2-(4-bromo-3-methylanilino)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-bromo-3-methylanilino)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-bromo-3-methylanilino)-N-(pyridin-2-ylmethyl)acetamide is Cc1cc(NCC(=O)NCc2ccccn2)ccc1Br.
What is the InChIKey of 2-(4-bromo-3-methylanilino)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is DAWGUVRFRJHWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-11-8-12(5-6-14(11)16)18-10-15(20)19-9-13-4-2-3-7-17-13/h2-8,18H,9-10H2,1H3,(H,19,20).
What are the key properties of 2-(4-bromo-3-methylanilino)-N-(pyridin-2-ylmethyl)acetamide?
2-(4-bromo-3-methylanilino)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 334.22 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylanilino)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 108999310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).