N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3,4,5-trichloropyridine-2-carboxamide

C15H11BrCl3N3O2 — CID 16548195

IUPACN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3,4,5-trichloropyridine-2-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)CNC(=O)c1ncc(Cl)c(Cl)c1Cl
InChIInChI=1S/C15H11BrCl3N3O2/c1-7-4-8(16)2-3-10(7)22-11(23)6-21-15(24)14-13(19)12(18)9(17)5-20-14/h2-5H,6H2,1H3,(H,21,24)(H,22,23)
InChIKeyLXMZRUXPOGKFTB-UHFFFAOYSA-N
MW451.54 g/mol
LogP4.48
Rot. Bonds4

About N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3,4,5-trichloropyridine-2-carboxamide

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3,4,5-trichloropyridine-2-carboxamide (PubChem CID 16548195) has the molecular formula C15H11BrCl3N3O2 and a molecular weight of 451.54 g/mol. Its IUPAC name is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3,4,5-trichloropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3,4,5-trichloropyridine-2-carboxamide
PubChem CID16548195
Molecular FormulaC15H11BrCl3N3O2
Molecular Weight451.54 g/mol
Exact Mass448.91
IUPAC NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3,4,5-trichloropyridine-2-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)CNC(=O)c1ncc(Cl)c(Cl)c1Cl
InChIInChI=1S/C15H11BrCl3N3O2/c1-7-4-8(16)2-3-10(7)22-11(23)6-21-15(24)14-13(19)12(18)9(17)5-20-14/h2-5H,6H2,1H3,(H,21,24)(H,22,23)
InChIKeyLXMZRUXPOGKFTB-UHFFFAOYSA-N
XLogP4.48
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.54
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]pyrazine-2-carboxamide
CID 18135661
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,4,6-trimethylbenzamide
CID 112761213
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-methyl-1H-indazole-3-carboxamide
CID 78858960
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,5-dimethylbenzamide
CID 27781463
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 31367998
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopentene-1-carboxamide
CID 71918952
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide
CID 27010123
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 27781440
5-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzamide
CID 3480420
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 27781347
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(methoxymethyl)benzamide
CID 17439988
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-ethyl-5-methylthiophene-2-carboxamide
CID 27781375

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3,4,5-trichloropyridine-2-carboxamide?
The IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3,4,5-trichloropyridine-2-carboxamide (CID 16548195) is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3,4,5-trichloropyridine-2-carboxamide.
What is the SMILES notation for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3,4,5-trichloropyridine-2-carboxamide?
The canonical SMILES for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3,4,5-trichloropyridine-2-carboxamide is Cc1cc(Br)ccc1NC(=O)CNC(=O)c1ncc(Cl)c(Cl)c1Cl.
What is the InChIKey of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3,4,5-trichloropyridine-2-carboxamide?
The InChIKey is LXMZRUXPOGKFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrCl3N3O2/c1-7-4-8(16)2-3-10(7)22-11(23)6-21-15(24)14-13(19)12(18)9(17)5-20-14/h2-5H,6H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3,4,5-trichloropyridine-2-carboxamide?
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3,4,5-trichloropyridine-2-carboxamide has a molecular weight of 451.54 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3,4,5-trichloropyridine-2-carboxamide is sourced from PubChem (CID 16548195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).