N-[4-(1,3-dioxolan-2-yl)phenyl]-2-fluorobenzamide

C16H14FNO3 — CID 110732804

IUPACN-[4-(1,3-dioxolan-2-yl)phenyl]-2-fluorobenzamide
SMILESO=C(Nc1ccc(C2OCCO2)cc1)c1ccccc1F
InChIInChI=1S/C16H14FNO3/c17-14-4-2-1-3-13(14)15(19)18-12-7-5-11(6-8-12)16-20-9-10-21-16/h1-8,16H,9-10H2,(H,18,19)
InChIKeyGFJULWFCIDCIGC-UHFFFAOYSA-N
MW287.29 g/mol
LogP3.12
Rot. Bonds3

About N-[4-(1,3-dioxolan-2-yl)phenyl]-2-fluorobenzamide

N-[4-(1,3-dioxolan-2-yl)phenyl]-2-fluorobenzamide (PubChem CID 110732804) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is N-[4-(1,3-dioxolan-2-yl)phenyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(1,3-dioxolan-2-yl)phenyl]-2-fluorobenzamide
PubChem CID110732804
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC NameN-[4-(1,3-dioxolan-2-yl)phenyl]-2-fluorobenzamide
SMILESO=C(Nc1ccc(C2OCCO2)cc1)c1ccccc1F
InChIInChI=1S/C16H14FNO3/c17-14-4-2-1-3-13(14)15(19)18-12-7-5-11(6-8-12)16-20-9-10-21-16/h1-8,16H,9-10H2,(H,18,19)
InChIKeyGFJULWFCIDCIGC-UHFFFAOYSA-N
XLogP3.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1,3-dioxolan-2-yl)phenyl]-2-methoxybenzamide
CID 110732808
2-fluoro-N-(4-morpholin-4-ylphenyl)benzamide
CID 781635
2-fluoro-N-[4-(3-oxomorpholin-4-yl)phenyl]benzamide
CID 110363540
N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-2-fluorobenzamide
CID 110637516
2,5-dibromo-N-[4-(1,3-dioxolan-2-yl)phenyl]thiophene-3-carboxamide
CID 107962373
2-fluoro-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]benzamide
CID 78318477
2-fluoro-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide
CID 577368
2-fluoro-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 71809546
2-fluoro-N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]benzamide
CID 17273892
2-fluoro-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide
CID 1094176
N-[4-(1,3-dioxolan-2-yl)phenyl]-2,2-dimethylpropanamide
CID 110732799
2-fluoro-N-[4-[(2S)-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125379

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-dioxolan-2-yl)phenyl]-2-fluorobenzamide?
The IUPAC name of N-[4-(1,3-dioxolan-2-yl)phenyl]-2-fluorobenzamide (CID 110732804) is N-[4-(1,3-dioxolan-2-yl)phenyl]-2-fluorobenzamide.
What is the SMILES notation for N-[4-(1,3-dioxolan-2-yl)phenyl]-2-fluorobenzamide?
The canonical SMILES for N-[4-(1,3-dioxolan-2-yl)phenyl]-2-fluorobenzamide is O=C(Nc1ccc(C2OCCO2)cc1)c1ccccc1F.
What is the InChIKey of N-[4-(1,3-dioxolan-2-yl)phenyl]-2-fluorobenzamide?
The InChIKey is GFJULWFCIDCIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3/c17-14-4-2-1-3-13(14)15(19)18-12-7-5-11(6-8-12)16-20-9-10-21-16/h1-8,16H,9-10H2,(H,18,19).
What are the key properties of N-[4-(1,3-dioxolan-2-yl)phenyl]-2-fluorobenzamide?
N-[4-(1,3-dioxolan-2-yl)phenyl]-2-fluorobenzamide has a molecular weight of 287.29 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-dioxolan-2-yl)phenyl]-2-fluorobenzamide is sourced from PubChem (CID 110732804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).