2-fluoro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-phenylbenzamide

C19H20FNO3 — CID 110611916

IUPAC2-fluoro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-phenylbenzamide
SMILESCC1(CCNC(=O)c2cc(-c3ccccc3)ccc2F)OCCO1
InChIInChI=1S/C19H20FNO3/c1-19(23-11-12-24-19)9-10-21-18(22)16-13-15(7-8-17(16)20)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3,(H,21,22)
InChIKeyGEWDVDNCPJNLFJ-UHFFFAOYSA-N
MW329.37 g/mol
LogP3.38
Rot. Bonds5

About 2-fluoro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-phenylbenzamide

2-fluoro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-phenylbenzamide (PubChem CID 110611916) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is 2-fluoro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-phenylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-phenylbenzamide
PubChem CID110611916
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name2-fluoro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-phenylbenzamide
SMILESCC1(CCNC(=O)c2cc(-c3ccccc3)ccc2F)OCCO1
InChIInChI=1S/C19H20FNO3/c1-19(23-11-12-24-19)9-10-21-18(22)16-13-15(7-8-17(16)20)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3,(H,21,22)
InChIKeyGEWDVDNCPJNLFJ-UHFFFAOYSA-N
XLogP3.38
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-phenylbenzamide
CID 110359324
2-methyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridine-3-carboxamide
CID 75506217
1-(3-bromo-4-fluorophenyl)-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea
CID 75477854
3,4-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzamide
CID 110359284
3-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzamide
CID 110359279
4-methyl-N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]benzamide
CID 110369745
2-chloro-1-(2-fluoro-5-phenylphenyl)ethanone
CID 83988612
N-[2-(cyclohexylamino)-2-oxoethyl]-2-fluoro-5-phenylbenzamide
CID 110625209
2-fluoro-N-(5-methyl-1,2-oxazol-3-yl)-5-phenylbenzamide
CID 110429071
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-fluoro-5-phenylbenzamide
CID 110606102
ethane;[2-[2-[[2-fluoro-5-(2-fluorophenyl)benzoyl]amino]ethylamino]-2-oxoethyl]azanium
CID 145297202
2,3-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]quinoxaline-6-carboxamide
CID 110357024

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-phenylbenzamide?
The IUPAC name of 2-fluoro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-phenylbenzamide (CID 110611916) is 2-fluoro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-phenylbenzamide.
What is the SMILES notation for 2-fluoro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-phenylbenzamide?
The canonical SMILES for 2-fluoro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-phenylbenzamide is CC1(CCNC(=O)c2cc(-c3ccccc3)ccc2F)OCCO1.
What is the InChIKey of 2-fluoro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-phenylbenzamide?
The InChIKey is GEWDVDNCPJNLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3/c1-19(23-11-12-24-19)9-10-21-18(22)16-13-15(7-8-17(16)20)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3,(H,21,22).
What are the key properties of 2-fluoro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-phenylbenzamide?
2-fluoro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-phenylbenzamide has a molecular weight of 329.37 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-phenylbenzamide is sourced from PubChem (CID 110611916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).