N-cyclopentyl-2-(3,3,3-trifluoro-2-hydroxypropoxy)benzamide

C15H18F3NO3 — CID 86792594

IUPACN-cyclopentyl-2-(3,3,3-trifluoro-2-hydroxypropoxy)benzamide
SMILESO=C(NC1CCCC1)c1ccccc1OCC(O)C(F)(F)F
InChIInChI=1S/C15H18F3NO3/c16-15(17,18)13(20)9-22-12-8-4-3-7-11(12)14(21)19-10-5-1-2-6-10/h3-4,7-8,10,13,20H,1-2,5-6,9H2,(H,19,21)
InChIKeyHJYBKPOTFLCGGJ-UHFFFAOYSA-N
MW317.31 g/mol
LogP2.66
Rot. Bonds5

About N-cyclopentyl-2-(3,3,3-trifluoro-2-hydroxypropoxy)benzamide

N-cyclopentyl-2-(3,3,3-trifluoro-2-hydroxypropoxy)benzamide (PubChem CID 86792594) has the molecular formula C15H18F3NO3 and a molecular weight of 317.31 g/mol. Its IUPAC name is N-cyclopentyl-2-(3,3,3-trifluoro-2-hydroxypropoxy)benzamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(3,3,3-trifluoro-2-hydroxypropoxy)benzamide
PubChem CID86792594
Molecular FormulaC15H18F3NO3
Molecular Weight317.31 g/mol
Exact Mass317.12
IUPAC NameN-cyclopentyl-2-(3,3,3-trifluoro-2-hydroxypropoxy)benzamide
SMILESO=C(NC1CCCC1)c1ccccc1OCC(O)C(F)(F)F
InChIInChI=1S/C15H18F3NO3/c16-15(17,18)13(20)9-22-12-8-4-3-7-11(12)14(21)19-10-5-1-2-6-10/h3-4,7-8,10,13,20H,1-2,5-6,9H2,(H,19,21)
InChIKeyHJYBKPOTFLCGGJ-UHFFFAOYSA-N
XLogP2.66
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,3,3-trifluoro-2-hydroxypropoxy)benzamide
CID 69220886
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CID 56883556
2-chloro-N-cyclopentylbenzamide
CID 669043
2-ethoxy-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389363
1-[2-[(2S)-3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]ethanone
CID 1248675
N-piperidin-4-yl-2-prop-2-enoxybenzamide
CID 119390242
2-[2-(cyclohexylcarbamoyl)phenyl]acetic acid
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CID 119478882

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(3,3,3-trifluoro-2-hydroxypropoxy)benzamide?
The IUPAC name of N-cyclopentyl-2-(3,3,3-trifluoro-2-hydroxypropoxy)benzamide (CID 86792594) is N-cyclopentyl-2-(3,3,3-trifluoro-2-hydroxypropoxy)benzamide.
What is the SMILES notation for N-cyclopentyl-2-(3,3,3-trifluoro-2-hydroxypropoxy)benzamide?
The canonical SMILES for N-cyclopentyl-2-(3,3,3-trifluoro-2-hydroxypropoxy)benzamide is O=C(NC1CCCC1)c1ccccc1OCC(O)C(F)(F)F.
What is the InChIKey of N-cyclopentyl-2-(3,3,3-trifluoro-2-hydroxypropoxy)benzamide?
The InChIKey is HJYBKPOTFLCGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO3/c16-15(17,18)13(20)9-22-12-8-4-3-7-11(12)14(21)19-10-5-1-2-6-10/h3-4,7-8,10,13,20H,1-2,5-6,9H2,(H,19,21).
What are the key properties of N-cyclopentyl-2-(3,3,3-trifluoro-2-hydroxypropoxy)benzamide?
N-cyclopentyl-2-(3,3,3-trifluoro-2-hydroxypropoxy)benzamide has a molecular weight of 317.31 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(3,3,3-trifluoro-2-hydroxypropoxy)benzamide is sourced from PubChem (CID 86792594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).