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

C24H24BrNO3 — CID 17067040

IUPAC3-bromo-N-[4-(2-phenylethoxy)phenyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc(OCCc3ccccc3)cc2)cc1Br
InChIInChI=1S/C24H24BrNO3/c1-2-15-29-23-13-8-19(17-22(23)25)24(27)26-20-9-11-21(12-10-20)28-16-14-18-6-4-3-5-7-18/h3-13,17H,2,14-16H2,1H3,(H,26,27)
InChIKeyQTRPHBPZKFQRLD-UHFFFAOYSA-N
MW454.36 g/mol
LogP6.11
Rot. Bonds9

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

3-bromo-N-[4-(2-phenylethoxy)phenyl]-4-propoxybenzamide (PubChem CID 17067040) has the molecular formula C24H24BrNO3 and a molecular weight of 454.36 g/mol. Its IUPAC name is 3-bromo-N-[4-(2-phenylethoxy)phenyl]-4-propoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-[4-(2-phenylethoxy)phenyl]-4-propoxybenzamide
PubChem CID17067040
Molecular FormulaC24H24BrNO3
Molecular Weight454.36 g/mol
Exact Mass453.09
IUPAC Name3-bromo-N-[4-(2-phenylethoxy)phenyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc(OCCc3ccccc3)cc2)cc1Br
InChIInChI=1S/C24H24BrNO3/c1-2-15-29-23-13-8-19(17-22(23)25)24(27)26-20-9-11-21(12-10-20)28-16-14-18-6-4-3-5-7-18/h3-13,17H,2,14-16H2,1H3,(H,26,27)
InChIKeyQTRPHBPZKFQRLD-UHFFFAOYSA-N
XLogP6.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.36
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-butoxy-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 17067024
3-bromo-N-phenyl-4-(2-phenylethoxy)benzamide
CID 17072648
3-bromo-4-ethoxy-N-(4-propoxyphenyl)benzamide
CID 17073835
N-[4-(benzylcarbamoyl)phenyl]-3-bromo-4-propoxybenzamide
CID 28639983
3-bromo-N-[3-(phenylcarbamoyl)phenyl]-4-(2-phenylethoxy)benzamide
CID 54781131
3-bromo-N-(4-heptoxyphenyl)-4-hexoxybenzamide
CID 4959571
3-bromo-N-(4-fluorophenyl)-4-propoxybenzamide
CID 17342674
4-butoxy-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 17066999
3-bromo-N-(4-bromophenyl)-4-propoxybenzamide
CID 17342672
N-(3-acetamidophenyl)-3-bromo-4-(2-phenylethoxy)benzamide
CID 17189867
N-(4-anilinophenyl)-3-bromo-4-butoxybenzamide
CID 4955723
3-bromo-N-(3-methoxyphenyl)-4-(2-phenylethoxy)benzamide
CID 17072702

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-(2-phenylethoxy)phenyl]-4-propoxybenzamide?
The IUPAC name of 3-bromo-N-[4-(2-phenylethoxy)phenyl]-4-propoxybenzamide (CID 17067040) is 3-bromo-N-[4-(2-phenylethoxy)phenyl]-4-propoxybenzamide.
What is the SMILES notation for 3-bromo-N-[4-(2-phenylethoxy)phenyl]-4-propoxybenzamide?
The canonical SMILES for 3-bromo-N-[4-(2-phenylethoxy)phenyl]-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2ccc(OCCc3ccccc3)cc2)cc1Br.
What is the InChIKey of 3-bromo-N-[4-(2-phenylethoxy)phenyl]-4-propoxybenzamide?
The InChIKey is QTRPHBPZKFQRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrNO3/c1-2-15-29-23-13-8-19(17-22(23)25)24(27)26-20-9-11-21(12-10-20)28-16-14-18-6-4-3-5-7-18/h3-13,17H,2,14-16H2,1H3,(H,26,27).
What are the key properties of 3-bromo-N-[4-(2-phenylethoxy)phenyl]-4-propoxybenzamide?
3-bromo-N-[4-(2-phenylethoxy)phenyl]-4-propoxybenzamide has a molecular weight of 454.36 g/mol, XLogP of 6.11, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-(2-phenylethoxy)phenyl]-4-propoxybenzamide is sourced from PubChem (CID 17067040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).