(2R)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-pyridin-3-yloxypropanamide

C18H20BrN3O3 — CID 95771070

IUPAC(2R)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-pyridin-3-yloxypropanamide
SMILESCc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@@H](C)Oc1cccnc1
InChIInChI=1S/C18H20BrN3O3/c1-12-9-14(19)6-7-16(12)21-17(23)11-22(3)18(24)13(2)25-15-5-4-8-20-10-15/h4-10,13H,11H2,1-3H3,(H,21,23)/t13-/m1/s1
InChIKeyZAESLJTYYCNMCU-CYBMUJFWSA-N
MW406.28 g/mol
LogP3.02
Rot. Bonds6

About (2R)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-pyridin-3-yloxypropanamide

(2R)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-pyridin-3-yloxypropanamide (PubChem CID 95771070) has the molecular formula C18H20BrN3O3 and a molecular weight of 406.28 g/mol. Its IUPAC name is (2R)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-pyridin-3-yloxypropanamide.

Molecular Properties

Compound Name(2R)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-pyridin-3-yloxypropanamide
PubChem CID95771070
Molecular FormulaC18H20BrN3O3
Molecular Weight406.28 g/mol
Exact Mass405.07
IUPAC Name(2R)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-pyridin-3-yloxypropanamide
SMILESCc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@@H](C)Oc1cccnc1
InChIInChI=1S/C18H20BrN3O3/c1-12-9-14(19)6-7-16(12)21-17(23)11-22(3)18(24)13(2)25-15-5-4-8-20-10-15/h4-10,13H,11H2,1-3H3,(H,21,23)/t13-/m1/s1
InChIKeyZAESLJTYYCNMCU-CYBMUJFWSA-N
XLogP3.02
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.28
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-(4-chlorophenoxy)-N-methylpropanamide
CID 55332635
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride
CID 119684867
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-methoxy-N-methylpyridine-3-carboxamide
CID 134034240
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N,2,3-trimethylbenzamide
CID 26904815
N-(4-bromo-2-methylphenyl)-2-[methyl-(2-methylsulfanylacetyl)amino]acetamide
CID 17407334
3-acetamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylpropanamide
CID 16583098
1-(4-bromo-2-methylphenyl)-3-pyridin-3-ylurea
CID 47126030
N-(4-bromo-2-methylphenyl)-2-[methyl(naphthalen-2-ylcarbamoyl)amino]acetamide
CID 78871865
5-bromo-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-chloro-N-methylbenzamide
CID 26904812
N-(4-bromo-2-methylphenyl)-2-[[(1S)-1-cyanoethyl]-methylamino]acetamide
CID 9303278
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(2-methylpropyl)acetamide
CID 9303536
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-fluoro-N-methylbenzamide
CID 8698305

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-pyridin-3-yloxypropanamide?
The IUPAC name of (2R)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-pyridin-3-yloxypropanamide (CID 95771070) is (2R)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-pyridin-3-yloxypropanamide.
What is the SMILES notation for (2R)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-pyridin-3-yloxypropanamide?
The canonical SMILES for (2R)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-pyridin-3-yloxypropanamide is Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@@H](C)Oc1cccnc1.
What is the InChIKey of (2R)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-pyridin-3-yloxypropanamide?
The InChIKey is ZAESLJTYYCNMCU-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20BrN3O3/c1-12-9-14(19)6-7-16(12)21-17(23)11-22(3)18(24)13(2)25-15-5-4-8-20-10-15/h4-10,13H,11H2,1-3H3,(H,21,23)/t13-/m1/s1.
What are the key properties of (2R)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-pyridin-3-yloxypropanamide?
(2R)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-pyridin-3-yloxypropanamide has a molecular weight of 406.28 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-pyridin-3-yloxypropanamide is sourced from PubChem (CID 95771070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).