N-(3-acetamidophenyl)-3-bromo-4-(2-phenylethoxy)benzamide

C23H21BrN2O3 — CID 17189867

IUPACN-(3-acetamidophenyl)-3-bromo-4-(2-phenylethoxy)benzamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)c1
InChIInChI=1S/C23H21BrN2O3/c1-16(27)25-19-8-5-9-20(15-19)26-23(28)18-10-11-22(21(24)14-18)29-13-12-17-6-3-2-4-7-17/h2-11,14-15H,12-13H2,1H3,(H,25,27)(H,26,28)
InChIKeyNUJZYKFOLSAFLT-UHFFFAOYSA-N
MW453.34 g/mol
LogP5.28
Rot. Bonds7

About N-(3-acetamidophenyl)-3-bromo-4-(2-phenylethoxy)benzamide

N-(3-acetamidophenyl)-3-bromo-4-(2-phenylethoxy)benzamide (PubChem CID 17189867) has the molecular formula C23H21BrN2O3 and a molecular weight of 453.34 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-3-bromo-4-(2-phenylethoxy)benzamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-3-bromo-4-(2-phenylethoxy)benzamide
PubChem CID17189867
Molecular FormulaC23H21BrN2O3
Molecular Weight453.34 g/mol
Exact Mass452.07
IUPAC NameN-(3-acetamidophenyl)-3-bromo-4-(2-phenylethoxy)benzamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)c1
InChIInChI=1S/C23H21BrN2O3/c1-16(27)25-19-8-5-9-20(15-19)26-23(28)18-10-11-22(21(24)14-18)29-13-12-17-6-3-2-4-7-17/h2-11,14-15H,12-13H2,1H3,(H,25,27)(H,26,28)
InChIKeyNUJZYKFOLSAFLT-UHFFFAOYSA-N
XLogP5.28
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.34
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[3-(phenylcarbamoyl)phenyl]-4-(2-phenylethoxy)benzamide
CID 54781131
3-bromo-N-phenyl-4-(2-phenylethoxy)benzamide
CID 17072648
3-bromo-N-[3-(2-methylpropanoylamino)phenyl]-4-(2-phenylethoxy)benzamide
CID 17189283
3-bromo-N-(3-methoxyphenyl)-4-(2-phenylethoxy)benzamide
CID 17072702
N-(3-benzamidophenyl)-3-bromo-4-(2-methoxyethoxy)benzamide
CID 17234914
3-bromo-N-[4-(2-phenylethoxy)phenyl]-4-propoxybenzamide
CID 17067040
3-bromo-4-butoxy-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 17067024
3-bromo-4-butoxy-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide
CID 17235626
3-bromo-N-naphthalen-1-yl-4-(2-phenylethoxy)benzamide
CID 17072631
N-(3-benzamidophenyl)-5-bromo-2-(2-phenylethoxy)benzamide
CID 17234918
N-[(3-benzamidophenyl)carbamothioyl]-3-bromo-4-(2-methoxyethoxy)benzamide
CID 17235195
3-bromo-4-(2-phenylethoxy)-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 17072789

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-3-bromo-4-(2-phenylethoxy)benzamide?
The IUPAC name of N-(3-acetamidophenyl)-3-bromo-4-(2-phenylethoxy)benzamide (CID 17189867) is N-(3-acetamidophenyl)-3-bromo-4-(2-phenylethoxy)benzamide.
What is the SMILES notation for N-(3-acetamidophenyl)-3-bromo-4-(2-phenylethoxy)benzamide?
The canonical SMILES for N-(3-acetamidophenyl)-3-bromo-4-(2-phenylethoxy)benzamide is CC(=O)Nc1cccc(NC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-3-bromo-4-(2-phenylethoxy)benzamide?
The InChIKey is NUJZYKFOLSAFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN2O3/c1-16(27)25-19-8-5-9-20(15-19)26-23(28)18-10-11-22(21(24)14-18)29-13-12-17-6-3-2-4-7-17/h2-11,14-15H,12-13H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-(3-acetamidophenyl)-3-bromo-4-(2-phenylethoxy)benzamide?
N-(3-acetamidophenyl)-3-bromo-4-(2-phenylethoxy)benzamide has a molecular weight of 453.34 g/mol, XLogP of 5.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-3-bromo-4-(2-phenylethoxy)benzamide is sourced from PubChem (CID 17189867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).