N-(4-acetamidophenyl)-2-(4-bromo-2,6-dimethylphenoxy)propanamide

C19H21BrN2O3 — CID 4960935

IUPACN-(4-acetamidophenyl)-2-(4-bromo-2,6-dimethylphenoxy)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)C(C)Oc2c(C)cc(Br)cc2C)cc1
InChIInChI=1S/C19H21BrN2O3/c1-11-9-15(20)10-12(2)18(11)25-13(3)19(24)22-17-7-5-16(6-8-17)21-14(4)23/h5-10,13H,1-4H3,(H,21,23)(H,22,24)
InChIKeySIUNIOIQTLVFKW-UHFFFAOYSA-N
MW405.29 g/mol
LogP4.43
Rot. Bonds5

About N-(4-acetamidophenyl)-2-(4-bromo-2,6-dimethylphenoxy)propanamide

N-(4-acetamidophenyl)-2-(4-bromo-2,6-dimethylphenoxy)propanamide (PubChem CID 4960935) has the molecular formula C19H21BrN2O3 and a molecular weight of 405.29 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(4-bromo-2,6-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(4-bromo-2,6-dimethylphenoxy)propanamide
PubChem CID4960935
Molecular FormulaC19H21BrN2O3
Molecular Weight405.29 g/mol
Exact Mass404.07
IUPAC NameN-(4-acetamidophenyl)-2-(4-bromo-2,6-dimethylphenoxy)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)C(C)Oc2c(C)cc(Br)cc2C)cc1
InChIInChI=1S/C19H21BrN2O3/c1-11-9-15(20)10-12(2)18(11)25-13(3)19(24)22-17-7-5-16(6-8-17)21-14(4)23/h5-10,13H,1-4H3,(H,21,23)(H,22,24)
InChIKeySIUNIOIQTLVFKW-UHFFFAOYSA-N
XLogP4.43
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 ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]phenyl]-2-methylbenzamide
CID 17251645
(2S)-2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 42427236
4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-ethylbenzamide
CID 17234385
4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N,N-dipropylbenzamide
CID 17196225
2-(4-bromo-2,6-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 4961087
2-(4-bromo-2,6-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 4960970
N-[3-[acetyl(methyl)amino]phenyl]-2-(4-bromo-2,6-dimethylphenoxy)propanamide
CID 46761926
3-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-methylbenzamide
CID 17233132
2-(4-bromo-2,6-dimethylphenoxy)-N-[2-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]ethyl]propanamide
CID 4961209
(2R)-N-(4-acetamidophenyl)-2-(4-bromophenoxy)propanamide
CID 7731961
2-(4-bromo-2,6-dimethylphenoxy)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]propanamide
CID 4961018
(2S)-2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-chlorophenyl)propanamide
CID 7917269

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(4-bromo-2,6-dimethylphenoxy)propanamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(4-bromo-2,6-dimethylphenoxy)propanamide (CID 4960935) is N-(4-acetamidophenyl)-2-(4-bromo-2,6-dimethylphenoxy)propanamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(4-bromo-2,6-dimethylphenoxy)propanamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(4-bromo-2,6-dimethylphenoxy)propanamide is CC(=O)Nc1ccc(NC(=O)C(C)Oc2c(C)cc(Br)cc2C)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(4-bromo-2,6-dimethylphenoxy)propanamide?
The InChIKey is SIUNIOIQTLVFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O3/c1-11-9-15(20)10-12(2)18(11)25-13(3)19(24)22-17-7-5-16(6-8-17)21-14(4)23/h5-10,13H,1-4H3,(H,21,23)(H,22,24).
What are the key properties of N-(4-acetamidophenyl)-2-(4-bromo-2,6-dimethylphenoxy)propanamide?
N-(4-acetamidophenyl)-2-(4-bromo-2,6-dimethylphenoxy)propanamide has a molecular weight of 405.29 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(4-bromo-2,6-dimethylphenoxy)propanamide is sourced from PubChem (CID 4960935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).