N-(5-bromo-2-pyridinyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide

C16H16BrClN4O2 — CID 38171990

IUPACN-(5-bromo-2-pyridinyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(Br)cn1)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C16H16BrClN4O2/c1-22(9-15(23)20-13-5-3-2-4-12(13)18)10-16(24)21-14-7-6-11(17)8-19-14/h2-8H,9-10H2,1H3,(H,20,23)(H,19,21,24)
InChIKeyIKWSQDVANOQTRZ-UHFFFAOYSA-N
MW411.69 g/mol
LogP3.01
Rot. Bonds6

About N-(5-bromo-2-pyridinyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide

N-(5-bromo-2-pyridinyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide (PubChem CID 38171990) has the molecular formula C16H16BrClN4O2 and a molecular weight of 411.69 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide
PubChem CID38171990
Molecular FormulaC16H16BrClN4O2
Molecular Weight411.69 g/mol
Exact Mass410.01
IUPAC NameN-(5-bromo-2-pyridinyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(Br)cn1)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C16H16BrClN4O2/c1-22(9-15(23)20-13-5-3-2-4-12(13)18)10-16(24)21-14-7-6-11(17)8-19-14/h2-8H,9-10H2,1H3,(H,20,23)(H,19,21,24)
InChIKeyIKWSQDVANOQTRZ-UHFFFAOYSA-N
XLogP3.01
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.69
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-pyridinyl)-2-[methyl(3-methylbutyl)amino]acetamide
CID 47287887
N-(5-bromo-2-pyridinyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide
CID 84591088
5-bromo-N-(2-chlorophenyl)pyridine-2-carboxamide
CID 62953356
N-(5-bromo-2-pyridinyl)-2-[(2-chlorobenzoyl)amino]benzamide
CID 1268365
ethyl N-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]carbamate
CID 9036414
N-(5-bromo-2-pyridinyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 51285623
2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 56549489
N-(4-bromo-3-methylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 27221148
2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-(2-methyl-4-nitrophenyl)acetamide
CID 56549281
N-(5-bromo-2-pyridinyl)-2-[[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]-methylamino]acetamide
CID 51135782
2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide
CID 9037147
2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-chlorophenyl)acetamide
CID 1281147

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide (CID 38171990) is N-(5-bromo-2-pyridinyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide is CN(CC(=O)Nc1ccc(Br)cn1)CC(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide?
The InChIKey is IKWSQDVANOQTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN4O2/c1-22(9-15(23)20-13-5-3-2-4-12(13)18)10-16(24)21-14-7-6-11(17)8-19-14/h2-8H,9-10H2,1H3,(H,20,23)(H,19,21,24).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide?
N-(5-bromo-2-pyridinyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide has a molecular weight of 411.69 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 38171990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).