3-bromo-N-naphthalen-1-yl-4-prop-2-enoxybenzamide

C20H16BrNO2 — CID 17067171

IUPAC3-bromo-N-naphthalen-1-yl-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)Nc2cccc3ccccc23)cc1Br
InChIInChI=1S/C20H16BrNO2/c1-2-12-24-19-11-10-15(13-17(19)21)20(23)22-18-9-5-7-14-6-3-4-8-16(14)18/h2-11,13H,1,12H2,(H,22,23)
InChIKeyBTAFGJQXEXMPLU-UHFFFAOYSA-N
MW382.26 g/mol
LogP5.42
Rot. Bonds5

About 3-bromo-N-naphthalen-1-yl-4-prop-2-enoxybenzamide

3-bromo-N-naphthalen-1-yl-4-prop-2-enoxybenzamide (PubChem CID 17067171) has the molecular formula C20H16BrNO2 and a molecular weight of 382.26 g/mol. Its IUPAC name is 3-bromo-N-naphthalen-1-yl-4-prop-2-enoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-naphthalen-1-yl-4-prop-2-enoxybenzamide
PubChem CID17067171
Molecular FormulaC20H16BrNO2
Molecular Weight382.26 g/mol
Exact Mass381.04
IUPAC Name3-bromo-N-naphthalen-1-yl-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)Nc2cccc3ccccc23)cc1Br
InChIInChI=1S/C20H16BrNO2/c1-2-12-24-19-11-10-15(13-17(19)21)20(23)22-18-9-5-7-14-6-3-4-8-16(14)18/h2-11,13H,1,12H2,(H,22,23)
InChIKeyBTAFGJQXEXMPLU-UHFFFAOYSA-N
XLogP5.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.26
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-naphthalen-1-yl-4-propoxybenzamide
CID 17342647
3-bromo-N-naphthalen-1-yl-4-(2-phenylethoxy)benzamide
CID 17072631
3-bromo-4-ethoxy-N-[3-(naphthalen-1-ylcarbamoyl)phenyl]benzamide
CID 15998680
3-bromo-N-[2-(2-methylpropoxy)phenyl]-4-prop-2-enoxybenzamide
CID 17074334
3-bromo-4-prop-2-enoxy-N-(2,4,5-trichlorophenyl)benzamide
CID 17067211
3-bromo-4-(3-methylbutoxy)-N-(2-prop-2-enoxyphenyl)benzamide
CID 17098035
3-bromo-N-(4-iodophenyl)-4-prop-2-enoxybenzamide
CID 17067187
3-bromo-4-ethoxy-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 17073804
3-bromo-N-(3-chloro-4-methylphenyl)-4-prop-2-enoxybenzamide
CID 17067213
3-methoxy-N-naphthalen-1-yl-4-propan-2-yloxybenzamide
CID 112762780
3-bromo-4-(2-methylpropoxy)-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 17351678
3-bromo-N-[4-(2-methylpropoxy)phenyl]-4-prop-2-enoxybenzamide
CID 17067240

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-naphthalen-1-yl-4-prop-2-enoxybenzamide?
The IUPAC name of 3-bromo-N-naphthalen-1-yl-4-prop-2-enoxybenzamide (CID 17067171) is 3-bromo-N-naphthalen-1-yl-4-prop-2-enoxybenzamide.
What is the SMILES notation for 3-bromo-N-naphthalen-1-yl-4-prop-2-enoxybenzamide?
The canonical SMILES for 3-bromo-N-naphthalen-1-yl-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)Nc2cccc3ccccc23)cc1Br.
What is the InChIKey of 3-bromo-N-naphthalen-1-yl-4-prop-2-enoxybenzamide?
The InChIKey is BTAFGJQXEXMPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrNO2/c1-2-12-24-19-11-10-15(13-17(19)21)20(23)22-18-9-5-7-14-6-3-4-8-16(14)18/h2-11,13H,1,12H2,(H,22,23).
What are the key properties of 3-bromo-N-naphthalen-1-yl-4-prop-2-enoxybenzamide?
3-bromo-N-naphthalen-1-yl-4-prop-2-enoxybenzamide has a molecular weight of 382.26 g/mol, XLogP of 5.42, 5 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-prop-2-enoxybenzamide is sourced from PubChem (CID 17067171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).