2-(4-bromo-3-methylphenoxy)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide

C19H22BrNO3 — CID 99951022

IUPAC2-(4-bromo-3-methylphenoxy)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide
SMILESCCOc1ccc([C@@H](C)NC(=O)COc2ccc(Br)c(C)c2)cc1
InChIInChI=1S/C19H22BrNO3/c1-4-23-16-7-5-15(6-8-16)14(3)21-19(22)12-24-17-9-10-18(20)13(2)11-17/h5-11,14H,4,12H2,1-3H3,(H,21,22)/t14-/m1/s1
InChIKeyPVFHGMXDDUCGTN-CQSZACIVSA-N
MW392.29 g/mol
LogP4.41
Rot. Bonds7

About 2-(4-bromo-3-methylphenoxy)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide

2-(4-bromo-3-methylphenoxy)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide (PubChem CID 99951022) has the molecular formula C19H22BrNO3 and a molecular weight of 392.29 g/mol. Its IUPAC name is 2-(4-bromo-3-methylphenoxy)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-3-methylphenoxy)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide
PubChem CID99951022
Molecular FormulaC19H22BrNO3
Molecular Weight392.29 g/mol
Exact Mass391.08
IUPAC Name2-(4-bromo-3-methylphenoxy)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide
SMILESCCOc1ccc([C@@H](C)NC(=O)COc2ccc(Br)c(C)c2)cc1
InChIInChI=1S/C19H22BrNO3/c1-4-23-16-7-5-15(6-8-16)14(3)21-19(22)12-24-17-9-10-18(20)13(2)11-17/h5-11,14H,4,12H2,1-3H3,(H,21,22)/t14-/m1/s1
InChIKeyPVFHGMXDDUCGTN-CQSZACIVSA-N
XLogP4.41
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(4-bromophenyl)ethyl]-2-(4-ethoxyphenoxy)acetamide
CID 9218863
2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 43915360
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide
CID 4502708
2-(4-bromo-3-methylphenoxy)-N-butan-2-ylacetamide
CID 2949556
2-(4-bromo-3-methylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 133190678
2-(4-acetylphenoxy)-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 51295837
2-(3,4-dimethylphenoxy)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 17326919
2-(3,4-dimethylphenoxy)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
CID 35891231
2-(4-bromo-3,5-dimethylphenoxy)-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 132763195
2-ethoxy-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 60706778
2-(4-bromo-3-methylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 28636573
2-(4-ethoxyphenoxy)-N-(1-pyridin-4-ylethyl)acetamide
CID 18160473

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylphenoxy)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-bromo-3-methylphenoxy)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide (CID 99951022) is 2-(4-bromo-3-methylphenoxy)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-bromo-3-methylphenoxy)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-bromo-3-methylphenoxy)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide is CCOc1ccc([C@@H](C)NC(=O)COc2ccc(Br)c(C)c2)cc1.
What is the InChIKey of 2-(4-bromo-3-methylphenoxy)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide?
The InChIKey is PVFHGMXDDUCGTN-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22BrNO3/c1-4-23-16-7-5-15(6-8-16)14(3)21-19(22)12-24-17-9-10-18(20)13(2)11-17/h5-11,14H,4,12H2,1-3H3,(H,21,22)/t14-/m1/s1.
What are the key properties of 2-(4-bromo-3-methylphenoxy)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide?
2-(4-bromo-3-methylphenoxy)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide has a molecular weight of 392.29 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylphenoxy)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 99951022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).