2-(4-bromo-3-methylanilino)-N-(2-ethoxyphenyl)propanamide

C18H21BrN2O2 — CID 46667035

IUPAC2-(4-bromo-3-methylanilino)-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)C(C)Nc1ccc(Br)c(C)c1
InChIInChI=1S/C18H21BrN2O2/c1-4-23-17-8-6-5-7-16(17)21-18(22)13(3)20-14-9-10-15(19)12(2)11-14/h5-11,13,20H,4H2,1-3H3,(H,21,22)
InChIKeyWWKLMMZEOGVGAW-UHFFFAOYSA-N
MW377.28 g/mol
LogP4.60
Rot. Bonds6

About 2-(4-bromo-3-methylanilino)-N-(2-ethoxyphenyl)propanamide

2-(4-bromo-3-methylanilino)-N-(2-ethoxyphenyl)propanamide (PubChem CID 46667035) has the molecular formula C18H21BrN2O2 and a molecular weight of 377.28 g/mol. Its IUPAC name is 2-(4-bromo-3-methylanilino)-N-(2-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(4-bromo-3-methylanilino)-N-(2-ethoxyphenyl)propanamide
PubChem CID46667035
Molecular FormulaC18H21BrN2O2
Molecular Weight377.28 g/mol
Exact Mass376.08
IUPAC Name2-(4-bromo-3-methylanilino)-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)C(C)Nc1ccc(Br)c(C)c1
InChIInChI=1S/C18H21BrN2O2/c1-4-23-17-8-6-5-7-16(17)21-18(22)13(3)20-14-9-10-15(19)12(2)11-14/h5-11,13,20H,4H2,1-3H3,(H,21,22)
InChIKeyWWKLMMZEOGVGAW-UHFFFAOYSA-N
XLogP4.60
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethoxyphenyl)-2-(3-methylanilino)propanamide
CID 51242335
2-(4-ethoxyanilino)-N-(2-ethoxyphenyl)propanamide
CID 51242376
N-(2-ethoxyphenyl)-2-[3-(hydroxymethyl)anilino]propanamide
CID 110880183
2-(4-acetamido-3-chloroanilino)-N-(2-ethoxyphenyl)propanamide
CID 47018355
(2R)-2-(4-ethoxy-3-fluoroanilino)-N-(2-methylphenyl)propanamide
CID 94643771
2-(4-ethoxy-3-fluoroanilino)-N-(2-methylphenyl)propanamide
CID 71939087
(2S)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-N-(2-ethoxyphenyl)propanamide
CID 37304550
(2R)-N-(2-ethoxyphenyl)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propanamide
CID 95570799
2-(4-methoxy-3-methylanilino)-N-(2-methoxyphenyl)propanamide
CID 87033331
2-[4-[2-(dimethylamino)-2-oxoethyl]anilino]-N-(2-ethoxyphenyl)propanamide
CID 60542586
N-(2-ethoxyphenyl)-2-[4-(2-methoxyethoxy)anilino]propanamide
CID 55684249
4-chloro-N-[4-[[1-(2-ethoxyanilino)-1-oxopropan-2-yl]amino]phenyl]benzamide
CID 60583133

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylanilino)-N-(2-ethoxyphenyl)propanamide?
The IUPAC name of 2-(4-bromo-3-methylanilino)-N-(2-ethoxyphenyl)propanamide (CID 46667035) is 2-(4-bromo-3-methylanilino)-N-(2-ethoxyphenyl)propanamide.
What is the SMILES notation for 2-(4-bromo-3-methylanilino)-N-(2-ethoxyphenyl)propanamide?
The canonical SMILES for 2-(4-bromo-3-methylanilino)-N-(2-ethoxyphenyl)propanamide is CCOc1ccccc1NC(=O)C(C)Nc1ccc(Br)c(C)c1.
What is the InChIKey of 2-(4-bromo-3-methylanilino)-N-(2-ethoxyphenyl)propanamide?
The InChIKey is WWKLMMZEOGVGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O2/c1-4-23-17-8-6-5-7-16(17)21-18(22)13(3)20-14-9-10-15(19)12(2)11-14/h5-11,13,20H,4H2,1-3H3,(H,21,22).
What are the key properties of 2-(4-bromo-3-methylanilino)-N-(2-ethoxyphenyl)propanamide?
2-(4-bromo-3-methylanilino)-N-(2-ethoxyphenyl)propanamide has a molecular weight of 377.28 g/mol, XLogP of 4.60, 6 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-(2-ethoxyphenyl)propanamide is sourced from PubChem (CID 46667035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).