4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-fluoro-6-methoxybenzamide

C24H21F3N2O3 — CID 154667267

IUPAC4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-fluoro-6-methoxybenzamide
SMILESCOc1cc(-c2cccc3cc(C(=O)N4CCC(F)(F)CC4)ccc23)cc(F)c1C(N)=O
InChIInChI=1S/C24H21F3N2O3/c1-32-20-13-16(12-19(25)21(20)22(28)30)17-4-2-3-14-11-15(5-6-18(14)17)23(31)29-9-7-24(26,27)8-10-29/h2-6,11-13H,7-10H2,1H3,(H2,28,30)
InChIKeyPDJMHOFQYVTRFK-UHFFFAOYSA-N
MW442.44 g/mol
LogP4.62
Rot. Bonds4

About 4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-fluoro-6-methoxybenzamide

4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-fluoro-6-methoxybenzamide (PubChem CID 154667267) has the molecular formula C24H21F3N2O3 and a molecular weight of 442.44 g/mol. Its IUPAC name is 4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-fluoro-6-methoxybenzamide.

Molecular Properties

Compound Name4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-fluoro-6-methoxybenzamide
PubChem CID154667267
Molecular FormulaC24H21F3N2O3
Molecular Weight442.44 g/mol
Exact Mass442.15
IUPAC Name4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-fluoro-6-methoxybenzamide
SMILESCOc1cc(-c2cccc3cc(C(=O)N4CCC(F)(F)CC4)ccc23)cc(F)c1C(N)=O
InChIInChI=1S/C24H21F3N2O3/c1-32-20-13-16(12-19(25)21(20)22(28)30)17-4-2-3-14-11-15(5-6-18(14)17)23(31)29-9-7-24(26,27)8-10-29/h2-6,11-13H,7-10H2,1H3,(H2,28,30)
InChIKeyPDJMHOFQYVTRFK-UHFFFAOYSA-N
XLogP4.62
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.44
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-fluoro-6-methoxybenzoic acid
CID 154667112
5-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-ethyl-3H-isoindol-1-one
CID 154667161
6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2H-phthalazin-1-one
CID 154667306
7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-methylpyrido[3,2-d]pyrimidin-4-one
CID 154667377
[(3R)-3-aminopyrrolidin-1-yl]-[5-[2-methoxy-5-(trifluoromethyl)phenyl]naphthalen-2-yl]methanone;hydrochloride
CID 172912320
CID 163676622
CID 163676622
[4-(aminomethyl)-4-methylpiperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 107160164
[(3S)-3-hydroxypyrrolidin-1-yl]-[5-(2-methoxypyrimidin-5-yl)naphthalen-2-yl]methanone
CID 172662609
[(3aR,6aS)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[5-(3,5-dimethoxyphenyl)naphthalen-2-yl]methanone
CID 175642946
4-(2-fluoro-6-methoxyphenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
CID 174635626
(6-bromo-5-chloronaphthalen-2-yl)-(4,4-difluoropiperidin-1-yl)methanone
CID 126602255
(4,4-difluoropiperidin-1-yl)-[4-(2-ethyl-7-methoxy-1-benzofuran-5-yl)phenyl]methanone
CID 159341232

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-fluoro-6-methoxybenzamide?
The IUPAC name of 4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-fluoro-6-methoxybenzamide (CID 154667267) is 4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-fluoro-6-methoxybenzamide.
What is the SMILES notation for 4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-fluoro-6-methoxybenzamide?
The canonical SMILES for 4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-fluoro-6-methoxybenzamide is COc1cc(-c2cccc3cc(C(=O)N4CCC(F)(F)CC4)ccc23)cc(F)c1C(N)=O.
What is the InChIKey of 4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-fluoro-6-methoxybenzamide?
The InChIKey is PDJMHOFQYVTRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N2O3/c1-32-20-13-16(12-19(25)21(20)22(28)30)17-4-2-3-14-11-15(5-6-18(14)17)23(31)29-9-7-24(26,27)8-10-29/h2-6,11-13H,7-10H2,1H3,(H2,28,30).
What are the key properties of 4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-fluoro-6-methoxybenzamide?
4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-fluoro-6-methoxybenzamide has a molecular weight of 442.44 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-fluoro-6-methoxybenzamide is sourced from PubChem (CID 154667267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).