3-bromo-N-[3-(phenylcarbamoyl)phenyl]-4-(2-phenylethoxy)benzamide

C28H23BrN2O3 — CID 54781131

IUPAC3-bromo-N-[3-(phenylcarbamoyl)phenyl]-4-(2-phenylethoxy)benzamide
SMILESO=C(Nc1ccccc1)c1cccc(NC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)c1
InChIInChI=1S/C28H23BrN2O3/c29-25-19-22(14-15-26(25)34-17-16-20-8-3-1-4-9-20)28(33)31-24-13-7-10-21(18-24)27(32)30-23-11-5-2-6-12-23/h1-15,18-19H,16-17H2,(H,30,32)(H,31,33)
InChIKeyXNIVKVIRSZTVCN-UHFFFAOYSA-N
MW515.41 g/mol
LogP6.58
Rot. Bonds8

About 3-bromo-N-[3-(phenylcarbamoyl)phenyl]-4-(2-phenylethoxy)benzamide

3-bromo-N-[3-(phenylcarbamoyl)phenyl]-4-(2-phenylethoxy)benzamide (PubChem CID 54781131) has the molecular formula C28H23BrN2O3 and a molecular weight of 515.41 g/mol. Its IUPAC name is 3-bromo-N-[3-(phenylcarbamoyl)phenyl]-4-(2-phenylethoxy)benzamide.

Molecular Properties

Compound Name3-bromo-N-[3-(phenylcarbamoyl)phenyl]-4-(2-phenylethoxy)benzamide
PubChem CID54781131
Molecular FormulaC28H23BrN2O3
Molecular Weight515.41 g/mol
Exact Mass514.09
IUPAC Name3-bromo-N-[3-(phenylcarbamoyl)phenyl]-4-(2-phenylethoxy)benzamide
SMILESO=C(Nc1ccccc1)c1cccc(NC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)c1
InChIInChI=1S/C28H23BrN2O3/c29-25-19-22(14-15-26(25)34-17-16-20-8-3-1-4-9-20)28(33)31-24-13-7-10-21(18-24)27(32)30-23-11-5-2-6-12-23/h1-15,18-19H,16-17H2,(H,30,32)(H,31,33)
InChIKeyXNIVKVIRSZTVCN-UHFFFAOYSA-N
XLogP6.58
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.41
LogP ≤ 56.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-phenyl-4-(2-phenylethoxy)benzamide
CID 17072648
N-(3-acetamidophenyl)-3-bromo-4-(2-phenylethoxy)benzamide
CID 17189867
3-bromo-N-(3-methoxyphenyl)-4-(2-phenylethoxy)benzamide
CID 17072702
3-bromo-N-[3-(2-methylpropanoylamino)phenyl]-4-(2-phenylethoxy)benzamide
CID 17189283
3-bromo-N-[4-(2-phenylethoxy)phenyl]-4-propoxybenzamide
CID 17067040
3-bromo-4-butoxy-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 17067024
N-(3-benzamidophenyl)-3-bromo-4-(2-methoxyethoxy)benzamide
CID 17234914
3-bromo-N-naphthalen-1-yl-4-(2-phenylethoxy)benzamide
CID 17072631
3-bromo-4-(2-methoxyethoxy)-N-[[3-(phenylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 54781343
N-(3-benzamidophenyl)-5-bromo-2-(2-phenylethoxy)benzamide
CID 17234918
N-[3-[benzyl(methyl)carbamoyl]phenyl]-3-bromo-4-hexoxybenzamide
CID 26162981
3-bromo-4-butoxy-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide
CID 17235626

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[3-(phenylcarbamoyl)phenyl]-4-(2-phenylethoxy)benzamide?
The IUPAC name of 3-bromo-N-[3-(phenylcarbamoyl)phenyl]-4-(2-phenylethoxy)benzamide (CID 54781131) is 3-bromo-N-[3-(phenylcarbamoyl)phenyl]-4-(2-phenylethoxy)benzamide.
What is the SMILES notation for 3-bromo-N-[3-(phenylcarbamoyl)phenyl]-4-(2-phenylethoxy)benzamide?
The canonical SMILES for 3-bromo-N-[3-(phenylcarbamoyl)phenyl]-4-(2-phenylethoxy)benzamide is O=C(Nc1ccccc1)c1cccc(NC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)c1.
What is the InChIKey of 3-bromo-N-[3-(phenylcarbamoyl)phenyl]-4-(2-phenylethoxy)benzamide?
The InChIKey is XNIVKVIRSZTVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23BrN2O3/c29-25-19-22(14-15-26(25)34-17-16-20-8-3-1-4-9-20)28(33)31-24-13-7-10-21(18-24)27(32)30-23-11-5-2-6-12-23/h1-15,18-19H,16-17H2,(H,30,32)(H,31,33).
What are the key properties of 3-bromo-N-[3-(phenylcarbamoyl)phenyl]-4-(2-phenylethoxy)benzamide?
3-bromo-N-[3-(phenylcarbamoyl)phenyl]-4-(2-phenylethoxy)benzamide has a molecular weight of 515.41 g/mol, XLogP of 6.58, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[3-(phenylcarbamoyl)phenyl]-4-(2-phenylethoxy)benzamide is sourced from PubChem (CID 54781131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).