4-fluoro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzamide

C13H16FNO3 — CID 110359272

IUPAC4-fluoro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzamide
SMILESCC1(CCNC(=O)c2ccc(F)cc2)OCCO1
InChIInChI=1S/C13H16FNO3/c1-13(17-8-9-18-13)6-7-15-12(16)10-2-4-11(14)5-3-10/h2-5H,6-9H2,1H3,(H,15,16)
InChIKeyZKGIIKWACRLMGL-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.71
Rot. Bonds4

About 4-fluoro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzamide

4-fluoro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzamide (PubChem CID 110359272) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is 4-fluoro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzamide
PubChem CID110359272
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name4-fluoro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzamide
SMILESCC1(CCNC(=O)c2ccc(F)cc2)OCCO1
InChIInChI=1S/C13H16FNO3/c1-13(17-8-9-18-13)6-7-15-12(16)10-2-4-11(14)5-3-10/h2-5H,6-9H2,1H3,(H,15,16)
InChIKeyZKGIIKWACRLMGL-UHFFFAOYSA-N
XLogP1.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]benzamide
CID 110369745
3,4-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzamide
CID 110359284
2,3-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]quinoxaline-6-carboxamide
CID 110357024
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-phenylbenzamide
CID 110359324
4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
CID 2841750
3-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzamide
CID 110359279
2-fluoro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-phenylbenzamide
CID 110611916
4-fluoro-N-(2-fluoroethyl)benzamide
CID 130478179
2-methyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridine-3-carboxamide
CID 75506217
1-[1-(2-chloro-4-fluorophenyl)ethyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea
CID 75522376
4-methyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 75522368
methyl N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]carbamate
CID 57358884

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzamide (CID 110359272) is 4-fluoro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzamide is CC1(CCNC(=O)c2ccc(F)cc2)OCCO1.
What is the InChIKey of 4-fluoro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzamide?
The InChIKey is ZKGIIKWACRLMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c1-13(17-8-9-18-13)6-7-15-12(16)10-2-4-11(14)5-3-10/h2-5H,6-9H2,1H3,(H,15,16).
What are the key properties of 4-fluoro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzamide?
4-fluoro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzamide has a molecular weight of 253.27 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzamide is sourced from PubChem (CID 110359272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).