3-bromo-N-naphthalen-1-yl-4-(2-phenylethoxy)benzamide

C25H20BrNO2 — CID 17072631

IUPAC3-bromo-N-naphthalen-1-yl-4-(2-phenylethoxy)benzamide
SMILESO=C(Nc1cccc2ccccc12)c1ccc(OCCc2ccccc2)c(Br)c1
InChIInChI=1S/C25H20BrNO2/c26-22-17-20(13-14-24(22)29-16-15-18-7-2-1-3-8-18)25(28)27-23-12-6-10-19-9-4-5-11-21(19)23/h1-14,17H,15-16H2,(H,27,28)
InChIKeyIYDKJJLPSYBYSB-UHFFFAOYSA-N
MW446.34 g/mol
LogP6.48
Rot. Bonds6

About 3-bromo-N-naphthalen-1-yl-4-(2-phenylethoxy)benzamide

3-bromo-N-naphthalen-1-yl-4-(2-phenylethoxy)benzamide (PubChem CID 17072631) has the molecular formula C25H20BrNO2 and a molecular weight of 446.34 g/mol. Its IUPAC name is 3-bromo-N-naphthalen-1-yl-4-(2-phenylethoxy)benzamide.

Molecular Properties

Compound Name3-bromo-N-naphthalen-1-yl-4-(2-phenylethoxy)benzamide
PubChem CID17072631
Molecular FormulaC25H20BrNO2
Molecular Weight446.34 g/mol
Exact Mass445.07
IUPAC Name3-bromo-N-naphthalen-1-yl-4-(2-phenylethoxy)benzamide
SMILESO=C(Nc1cccc2ccccc12)c1ccc(OCCc2ccccc2)c(Br)c1
InChIInChI=1S/C25H20BrNO2/c26-22-17-20(13-14-24(22)29-16-15-18-7-2-1-3-8-18)25(28)27-23-12-6-10-19-9-4-5-11-21(19)23/h1-14,17H,15-16H2,(H,27,28)
InChIKeyIYDKJJLPSYBYSB-UHFFFAOYSA-N
XLogP6.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.34
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-naphthalen-1-yl-4-propoxybenzamide
CID 17342647
3-bromo-N-phenyl-4-(2-phenylethoxy)benzamide
CID 17072648
3-bromo-N-[3-(phenylcarbamoyl)phenyl]-4-(2-phenylethoxy)benzamide
CID 54781131
3-bromo-N-naphthalen-1-yl-4-prop-2-enoxybenzamide
CID 17067171
3-bromo-4-(2-phenylethoxy)-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 17072789
3-bromo-4-(2-phenylethoxy)-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 17072791
N-(3-acetamidophenyl)-3-bromo-4-(2-phenylethoxy)benzamide
CID 17189867
3-bromo-4-ethoxy-N-[3-(naphthalen-1-ylcarbamoyl)phenyl]benzamide
CID 15998680
3-bromo-N-[2-(3-phenylpropoxy)phenyl]-4-propoxybenzamide
CID 17131493
3-bromo-4-(2-methoxyethoxy)-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide
CID 17356398
3-bromo-N-(3-methoxyphenyl)-4-(2-phenylethoxy)benzamide
CID 17072702
N-[2-(benzylcarbamoyl)phenyl]-3-bromo-4-(2-methoxyethoxy)benzamide
CID 17356400

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-naphthalen-1-yl-4-(2-phenylethoxy)benzamide?
The IUPAC name of 3-bromo-N-naphthalen-1-yl-4-(2-phenylethoxy)benzamide (CID 17072631) is 3-bromo-N-naphthalen-1-yl-4-(2-phenylethoxy)benzamide.
What is the SMILES notation for 3-bromo-N-naphthalen-1-yl-4-(2-phenylethoxy)benzamide?
The canonical SMILES for 3-bromo-N-naphthalen-1-yl-4-(2-phenylethoxy)benzamide is O=C(Nc1cccc2ccccc12)c1ccc(OCCc2ccccc2)c(Br)c1.
What is the InChIKey of 3-bromo-N-naphthalen-1-yl-4-(2-phenylethoxy)benzamide?
The InChIKey is IYDKJJLPSYBYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20BrNO2/c26-22-17-20(13-14-24(22)29-16-15-18-7-2-1-3-8-18)25(28)27-23-12-6-10-19-9-4-5-11-21(19)23/h1-14,17H,15-16H2,(H,27,28).
What are the key properties of 3-bromo-N-naphthalen-1-yl-4-(2-phenylethoxy)benzamide?
3-bromo-N-naphthalen-1-yl-4-(2-phenylethoxy)benzamide has a molecular weight of 446.34 g/mol, XLogP of 6.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-naphthalen-1-yl-4-(2-phenylethoxy)benzamide is sourced from PubChem (CID 17072631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).