N-[3-[acetyl(methyl)amino]phenyl]-2-(2-bromo-4-phenylphenoxy)acetamide

C23H21BrN2O3 — CID 46761925

IUPACN-[3-[acetyl(methyl)amino]phenyl]-2-(2-bromo-4-phenylphenoxy)acetamide
SMILESCC(=O)N(C)c1cccc(NC(=O)COc2ccc(-c3ccccc3)cc2Br)c1
InChIInChI=1S/C23H21BrN2O3/c1-16(27)26(2)20-10-6-9-19(14-20)25-23(28)15-29-22-12-11-18(13-21(22)24)17-7-4-3-5-8-17/h3-14H,15H2,1-2H3,(H,25,28)
InChIKeyQDAJOBLGKPNPNI-UHFFFAOYSA-N
MW453.34 g/mol
LogP5.12
Rot. Bonds6

About N-[3-[acetyl(methyl)amino]phenyl]-2-(2-bromo-4-phenylphenoxy)acetamide

N-[3-[acetyl(methyl)amino]phenyl]-2-(2-bromo-4-phenylphenoxy)acetamide (PubChem CID 46761925) has the molecular formula C23H21BrN2O3 and a molecular weight of 453.34 g/mol. Its IUPAC name is N-[3-[acetyl(methyl)amino]phenyl]-2-(2-bromo-4-phenylphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-[acetyl(methyl)amino]phenyl]-2-(2-bromo-4-phenylphenoxy)acetamide
PubChem CID46761925
Molecular FormulaC23H21BrN2O3
Molecular Weight453.34 g/mol
Exact Mass452.07
IUPAC NameN-[3-[acetyl(methyl)amino]phenyl]-2-(2-bromo-4-phenylphenoxy)acetamide
SMILESCC(=O)N(C)c1cccc(NC(=O)COc2ccc(-c3ccccc3)cc2Br)c1
InChIInChI=1S/C23H21BrN2O3/c1-16(27)26(2)20-10-6-9-19(14-20)25-23(28)15-29-22-12-11-18(13-21(22)24)17-7-4-3-5-8-17/h3-14H,15H2,1-2H3,(H,25,28)
InChIKeyQDAJOBLGKPNPNI-UHFFFAOYSA-N
XLogP5.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.34
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[acetyl(methyl)amino]phenyl]-2-(2-bromo-4-methylphenoxy)acetamide
CID 46761825
N-[3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231401
3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 17222016
N-[3-[acetyl(methyl)amino]phenyl]-2-(2-methoxyphenoxy)acetamide
CID 46761828
2-(2-bromo-4-phenylphenoxy)-N-[3-(2-methoxyethoxy)phenyl]acetamide
CID 17169893
3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]-N-ethylbenzamide
CID 17230760
2-(2-bromo-4-phenylphenoxy)-N-[3-(3-methylbutoxy)phenyl]acetamide
CID 17097332
2-(2-bromo-4-phenylphenoxy)-N-(4-chlorophenyl)acetamide
CID 4960591
N-[4-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]-3-methylbutanamide
CID 17194079
N-[4-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]benzamide
CID 17235437
2-(2-bromo-4-phenylphenoxy)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 17340502
N-[3-[acetyl(methyl)amino]phenyl]-2-(4-methoxyphenoxy)acetamide
CID 46761852

Frequently Asked Questions

What is the IUPAC name of N-[3-[acetyl(methyl)amino]phenyl]-2-(2-bromo-4-phenylphenoxy)acetamide?
The IUPAC name of N-[3-[acetyl(methyl)amino]phenyl]-2-(2-bromo-4-phenylphenoxy)acetamide (CID 46761925) is N-[3-[acetyl(methyl)amino]phenyl]-2-(2-bromo-4-phenylphenoxy)acetamide.
What is the SMILES notation for N-[3-[acetyl(methyl)amino]phenyl]-2-(2-bromo-4-phenylphenoxy)acetamide?
The canonical SMILES for N-[3-[acetyl(methyl)amino]phenyl]-2-(2-bromo-4-phenylphenoxy)acetamide is CC(=O)N(C)c1cccc(NC(=O)COc2ccc(-c3ccccc3)cc2Br)c1.
What is the InChIKey of N-[3-[acetyl(methyl)amino]phenyl]-2-(2-bromo-4-phenylphenoxy)acetamide?
The InChIKey is QDAJOBLGKPNPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN2O3/c1-16(27)26(2)20-10-6-9-19(14-20)25-23(28)15-29-22-12-11-18(13-21(22)24)17-7-4-3-5-8-17/h3-14H,15H2,1-2H3,(H,25,28).
What are the key properties of N-[3-[acetyl(methyl)amino]phenyl]-2-(2-bromo-4-phenylphenoxy)acetamide?
N-[3-[acetyl(methyl)amino]phenyl]-2-(2-bromo-4-phenylphenoxy)acetamide has a molecular weight of 453.34 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[acetyl(methyl)amino]phenyl]-2-(2-bromo-4-phenylphenoxy)acetamide is sourced from PubChem (CID 46761925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).