3-bromo-N-naphthalen-1-yl-4-propoxybenzamide

C20H18BrNO2 — CID 17342647

IUPAC3-bromo-N-naphthalen-1-yl-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2cccc3ccccc23)cc1Br
InChIInChI=1S/C20H18BrNO2/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/h3-11,13H,2,12H2,1H3,(H,22,23)
InChIKeyFQWIWROTHIDITQ-UHFFFAOYSA-N
MW384.27 g/mol
LogP5.64
Rot. Bonds5

About 3-bromo-N-naphthalen-1-yl-4-propoxybenzamide

3-bromo-N-naphthalen-1-yl-4-propoxybenzamide (PubChem CID 17342647) has the molecular formula C20H18BrNO2 and a molecular weight of 384.27 g/mol. Its IUPAC name is 3-bromo-N-naphthalen-1-yl-4-propoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-naphthalen-1-yl-4-propoxybenzamide
PubChem CID17342647
Molecular FormulaC20H18BrNO2
Molecular Weight384.27 g/mol
Exact Mass383.05
IUPAC Name3-bromo-N-naphthalen-1-yl-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2cccc3ccccc23)cc1Br
InChIInChI=1S/C20H18BrNO2/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/h3-11,13H,2,12H2,1H3,(H,22,23)
InChIKeyFQWIWROTHIDITQ-UHFFFAOYSA-N
XLogP5.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.27
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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-naphthalen-1-yl-4-prop-2-enoxybenzamide
CID 17067171
3-bromo-N-[2-(ethylcarbamoyl)phenyl]-4-propoxybenzamide
CID 17342812
3-bromo-N-[2-methyl-3-(propanoylamino)phenyl]-4-propoxybenzamide
CID 46760614
3-bromo-N-[2-(dimethylcarbamoyl)phenyl]-4-propoxybenzamide
CID 17342801
3-bromo-N-[2-(3-phenylpropoxy)phenyl]-4-propoxybenzamide
CID 17131493
3-bromo-4-propoxy-N-(2,4,5-trichlorophenyl)benzamide
CID 17342734
3-bromo-N-[2-(butylcarbamoyl)phenyl]-4-propoxybenzamide
CID 17149402
3-bromo-N-(2-methyl-3-nitrophenyl)-4-propoxybenzamide
CID 17342695
3-bromo-4-propoxy-N-(3-propoxyphenyl)benzamide
CID 17096782
3-bromo-N-(2,5-dimethylphenyl)-4-propoxybenzamide
CID 17342692

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-naphthalen-1-yl-4-propoxybenzamide?
The IUPAC name of 3-bromo-N-naphthalen-1-yl-4-propoxybenzamide (CID 17342647) is 3-bromo-N-naphthalen-1-yl-4-propoxybenzamide.
What is the SMILES notation for 3-bromo-N-naphthalen-1-yl-4-propoxybenzamide?
The canonical SMILES for 3-bromo-N-naphthalen-1-yl-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2cccc3ccccc23)cc1Br.
What is the InChIKey of 3-bromo-N-naphthalen-1-yl-4-propoxybenzamide?
The InChIKey is FQWIWROTHIDITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrNO2/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/h3-11,13H,2,12H2,1H3,(H,22,23).
What are the key properties of 3-bromo-N-naphthalen-1-yl-4-propoxybenzamide?
3-bromo-N-naphthalen-1-yl-4-propoxybenzamide has a molecular weight of 384.27 g/mol, XLogP of 5.64, 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-propoxybenzamide is sourced from PubChem (CID 17342647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).