4-[3-[2-(2,2-difluorocyclopropyl)ethoxy]naphthalen-1-yl]benzamide

C22H19F2NO2 — CID 175643711

IUPAC4-[3-[2-(2,2-difluorocyclopropyl)ethoxy]naphthalen-1-yl]benzamide
SMILESNC(=O)c1ccc(-c2cc(OCCC3CC3(F)F)cc3ccccc23)cc1
InChIInChI=1S/C22H19F2NO2/c23-22(24)13-17(22)9-10-27-18-11-16-3-1-2-4-19(16)20(12-18)14-5-7-15(8-6-14)21(25)26/h1-8,11-12,17H,9-10,13H2,(H2,25,26)
InChIKeyWQSHVXHZQGHFHF-UHFFFAOYSA-N
MW367.40 g/mol
LogP5.03
Rot. Bonds6

About 4-[3-[2-(2,2-difluorocyclopropyl)ethoxy]naphthalen-1-yl]benzamide

4-[3-[2-(2,2-difluorocyclopropyl)ethoxy]naphthalen-1-yl]benzamide (PubChem CID 175643711) has the molecular formula C22H19F2NO2 and a molecular weight of 367.40 g/mol. Its IUPAC name is 4-[3-[2-(2,2-difluorocyclopropyl)ethoxy]naphthalen-1-yl]benzamide.

Molecular Properties

Compound Name4-[3-[2-(2,2-difluorocyclopropyl)ethoxy]naphthalen-1-yl]benzamide
PubChem CID175643711
Molecular FormulaC22H19F2NO2
Molecular Weight367.40 g/mol
Exact Mass367.14
IUPAC Name4-[3-[2-(2,2-difluorocyclopropyl)ethoxy]naphthalen-1-yl]benzamide
SMILESNC(=O)c1ccc(-c2cc(OCCC3CC3(F)F)cc3ccccc23)cc1
InChIInChI=1S/C22H19F2NO2/c23-22(24)13-17(22)9-10-27-18-11-16-3-1-2-4-19(16)20(12-18)14-5-7-15(8-6-14)21(25)26/h1-8,11-12,17H,9-10,13H2,(H2,25,26)
InChIKeyWQSHVXHZQGHFHF-UHFFFAOYSA-N
XLogP5.03
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.40
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(2,2-difluorocyclopropyl)ethoxy]naphthalen-1-yl]benzamide?
The IUPAC name of 4-[3-[2-(2,2-difluorocyclopropyl)ethoxy]naphthalen-1-yl]benzamide (CID 175643711) is 4-[3-[2-(2,2-difluorocyclopropyl)ethoxy]naphthalen-1-yl]benzamide.
What is the SMILES notation for 4-[3-[2-(2,2-difluorocyclopropyl)ethoxy]naphthalen-1-yl]benzamide?
The canonical SMILES for 4-[3-[2-(2,2-difluorocyclopropyl)ethoxy]naphthalen-1-yl]benzamide is NC(=O)c1ccc(-c2cc(OCCC3CC3(F)F)cc3ccccc23)cc1.
What is the InChIKey of 4-[3-[2-(2,2-difluorocyclopropyl)ethoxy]naphthalen-1-yl]benzamide?
The InChIKey is WQSHVXHZQGHFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2NO2/c23-22(24)13-17(22)9-10-27-18-11-16-3-1-2-4-19(16)20(12-18)14-5-7-15(8-6-14)21(25)26/h1-8,11-12,17H,9-10,13H2,(H2,25,26).
What are the key properties of 4-[3-[2-(2,2-difluorocyclopropyl)ethoxy]naphthalen-1-yl]benzamide?
4-[3-[2-(2,2-difluorocyclopropyl)ethoxy]naphthalen-1-yl]benzamide has a molecular weight of 367.40 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(2,2-difluorocyclopropyl)ethoxy]naphthalen-1-yl]benzamide is sourced from PubChem (CID 175643711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).