5-chloro-2-fluoro-N-[1-(oxolan-3-yl)ethyl]benzamide

C13H15ClFNO2 — CID 113241572

IUPAC5-chloro-2-fluoro-N-[1-(oxolan-3-yl)ethyl]benzamide
SMILESCC(NC(=O)c1cc(Cl)ccc1F)C1CCOC1
InChIInChI=1S/C13H15ClFNO2/c1-8(9-4-5-18-7-9)16-13(17)11-6-10(14)2-3-12(11)15/h2-3,6,8-9H,4-5,7H2,1H3,(H,16,17)
InChIKeyYJQJEKVUYDMOJO-UHFFFAOYSA-N
MW271.72 g/mol
LogP2.63
Rot. Bonds3

About 5-chloro-2-fluoro-N-[1-(oxolan-3-yl)ethyl]benzamide

5-chloro-2-fluoro-N-[1-(oxolan-3-yl)ethyl]benzamide (PubChem CID 113241572) has the molecular formula C13H15ClFNO2 and a molecular weight of 271.72 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-[1-(oxolan-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-[1-(oxolan-3-yl)ethyl]benzamide
PubChem CID113241572
Molecular FormulaC13H15ClFNO2
Molecular Weight271.72 g/mol
Exact Mass271.08
IUPAC Name5-chloro-2-fluoro-N-[1-(oxolan-3-yl)ethyl]benzamide
SMILESCC(NC(=O)c1cc(Cl)ccc1F)C1CCOC1
InChIInChI=1S/C13H15ClFNO2/c1-8(9-4-5-18-7-9)16-13(17)11-6-10(14)2-3-12(11)15/h2-3,6,8-9H,4-5,7H2,1H3,(H,16,17)
InChIKeyYJQJEKVUYDMOJO-UHFFFAOYSA-N
XLogP2.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.72
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-(1-cyclohexylethyl)-2-fluorobenzamide
CID 62405432
2-chloro-5-hydroxy-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 106502198
3-bromo-2-chloro-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 103990950
5-fluoro-2-nitro-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 115648956
2-fluoro-6-hydroxy-N-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]benzamide
CID 99614822
2-(2-bromo-5-chlorophenyl)-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]acetamide
CID 129380773
5-chloro-N-(1-cyclopropylethyl)-2-hydroxybenzamide
CID 43401499
2-bromo-6-fluoro-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 113342855
5-chloro-2-(methylamino)-N-[1-(oxolan-3-yl)ethyl]pyridine-4-carboxamide
CID 114924748
3-fluoro-2-(methylamino)-N-[1-(oxolan-3-yl)ethyl]pyridine-4-carboxamide
CID 105387635
2-[3-[1-(oxolan-3-yl)ethylcarbamoyl]furan-2-yl]acetic acid
CID 114217885
2,3-dichloro-5-nitro-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 107189551

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-[1-(oxolan-3-yl)ethyl]benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-[1-(oxolan-3-yl)ethyl]benzamide (CID 113241572) is 5-chloro-2-fluoro-N-[1-(oxolan-3-yl)ethyl]benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-[1-(oxolan-3-yl)ethyl]benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-[1-(oxolan-3-yl)ethyl]benzamide is CC(NC(=O)c1cc(Cl)ccc1F)C1CCOC1.
What is the InChIKey of 5-chloro-2-fluoro-N-[1-(oxolan-3-yl)ethyl]benzamide?
The InChIKey is YJQJEKVUYDMOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO2/c1-8(9-4-5-18-7-9)16-13(17)11-6-10(14)2-3-12(11)15/h2-3,6,8-9H,4-5,7H2,1H3,(H,16,17).
What are the key properties of 5-chloro-2-fluoro-N-[1-(oxolan-3-yl)ethyl]benzamide?
5-chloro-2-fluoro-N-[1-(oxolan-3-yl)ethyl]benzamide has a molecular weight of 271.72 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-[1-(oxolan-3-yl)ethyl]benzamide is sourced from PubChem (CID 113241572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).