3-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-methylbenzamide

C19H21BrN2O3 — CID 17233132

IUPAC3-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)C(C)Oc2c(C)cc(Br)cc2C)c1
InChIInChI=1S/C19H21BrN2O3/c1-11-8-15(20)9-12(2)17(11)25-13(3)18(23)22-16-7-5-6-14(10-16)19(24)21-4/h5-10,13H,1-4H3,(H,21,24)(H,22,23)
InChIKeyVPLQONOXVCPFBJ-UHFFFAOYSA-N
MW405.29 g/mol
LogP3.83
Rot. Bonds5

About 3-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-methylbenzamide

3-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-methylbenzamide (PubChem CID 17233132) has the molecular formula C19H21BrN2O3 and a molecular weight of 405.29 g/mol. Its IUPAC name is 3-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-methylbenzamide
PubChem CID17233132
Molecular FormulaC19H21BrN2O3
Molecular Weight405.29 g/mol
Exact Mass404.07
IUPAC Name3-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)C(C)Oc2c(C)cc(Br)cc2C)c1
InChIInChI=1S/C19H21BrN2O3/c1-11-8-15(20)9-12(2)17(11)25-13(3)18(23)22-16-7-5-6-14(10-16)19(24)21-4/h5-10,13H,1-4H3,(H,21,24)(H,22,23)
InChIKeyVPLQONOXVCPFBJ-UHFFFAOYSA-N
XLogP3.83
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]benzamide
CID 43887141
N-methyl-3-(2-phenoxypropanoylamino)benzamide
CID 17233082
N-(4-acetamidophenyl)-2-(4-bromo-2,6-dimethylphenoxy)propanamide
CID 4960935
N-tert-butyl-3-[2-(2,6-dimethylphenoxy)propanoylamino]benzamide
CID 43887304
(2S)-2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-chlorophenyl)propanamide
CID 7917269
N-[3-[acetyl(methyl)amino]phenyl]-2-(4-bromo-2,6-dimethylphenoxy)propanamide
CID 46761926
N-[4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]phenyl]-2-methylbenzamide
CID 17251645
2-(4-bromo-2,6-dimethylphenoxy)-N-[3-[(2-phenoxyacetyl)amino]phenyl]propanamide
CID 17231402
3-[2-(2,6-dimethylphenoxy)propanoylamino]-N,N-dimethylbenzamide
CID 17231878
4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-ethylbenzamide
CID 17234385
2-(4-bromo-2,6-dimethylphenoxy)-N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]propanamide
CID 43912153
3-(2-chloropropanoylamino)-N-methylbenzamide
CID 43244627

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-methylbenzamide?
The IUPAC name of 3-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-methylbenzamide (CID 17233132) is 3-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-methylbenzamide.
What is the SMILES notation for 3-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-methylbenzamide?
The canonical SMILES for 3-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-methylbenzamide is CNC(=O)c1cccc(NC(=O)C(C)Oc2c(C)cc(Br)cc2C)c1.
What is the InChIKey of 3-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-methylbenzamide?
The InChIKey is VPLQONOXVCPFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O3/c1-11-8-15(20)9-12(2)17(11)25-13(3)18(23)22-16-7-5-6-14(10-16)19(24)21-4/h5-10,13H,1-4H3,(H,21,24)(H,22,23).
What are the key properties of 3-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-methylbenzamide?
3-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-methylbenzamide has a molecular weight of 405.29 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-methylbenzamide is sourced from PubChem (CID 17233132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).