1-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)naphthalene-2-carboxamide

C14H12F3NO3 — CID 103726312

IUPAC1-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)naphthalene-2-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)c1ccc2ccccc2c1O
InChIInChI=1S/C14H12F3NO3/c15-14(16,17)11(19)7-18-13(21)10-6-5-8-3-1-2-4-9(8)12(10)20/h1-6,11,19-20H,7H2,(H,18,21)
InChIKeyAWRGXSVOPARAFJ-UHFFFAOYSA-N
MW299.25 g/mol
LogP2.20
Rot. Bonds3

About 1-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)naphthalene-2-carboxamide

1-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)naphthalene-2-carboxamide (PubChem CID 103726312) has the molecular formula C14H12F3NO3 and a molecular weight of 299.25 g/mol. Its IUPAC name is 1-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name1-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)naphthalene-2-carboxamide
PubChem CID103726312
Molecular FormulaC14H12F3NO3
Molecular Weight299.25 g/mol
Exact Mass299.08
IUPAC Name1-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)naphthalene-2-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)c1ccc2ccccc2c1O
InChIInChI=1S/C14H12F3NO3/c15-14(16,17)11(19)7-18-13(21)10-6-5-8-3-1-2-4-9(8)12(10)20/h1-6,11,19-20H,7H2,(H,18,21)
InChIKeyAWRGXSVOPARAFJ-UHFFFAOYSA-N
XLogP2.20
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-hydroxy-N-(4-hydroxy-2-methylpentyl)naphthalene-2-carboxamide
CID 111697244
N-(3,3,3-trifluoro-2-hydroxypropyl)-1-benzofuran-3-carboxamide
CID 103726467
1-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)naphthalene-2-carboxamide
CID 111441757
2-tert-butyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103820494
methyl 2-bromo-3-[(1-hydroxynaphthalene-2-carbonyl)amino]propanoate
CID 103492634
2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103723044
2,6-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-carboxamide
CID 103726330
2-naphthalen-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103723083
4-chloro-2-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103723353
2,4-dibromo-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103883092
N-(3,3,3-trifluoro-2-hydroxypropyl)-1-benzothiophene-2-carboxamide
CID 103723346
N-but-2-ynyl-1-hydroxynaphthalene-2-carboxamide
CID 113342440

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)naphthalene-2-carboxamide?
The IUPAC name of 1-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)naphthalene-2-carboxamide (CID 103726312) is 1-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)naphthalene-2-carboxamide.
What is the SMILES notation for 1-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)naphthalene-2-carboxamide?
The canonical SMILES for 1-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)naphthalene-2-carboxamide is O=C(NCC(O)C(F)(F)F)c1ccc2ccccc2c1O.
What is the InChIKey of 1-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)naphthalene-2-carboxamide?
The InChIKey is AWRGXSVOPARAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO3/c15-14(16,17)11(19)7-18-13(21)10-6-5-8-3-1-2-4-9(8)12(10)20/h1-6,11,19-20H,7H2,(H,18,21).
What are the key properties of 1-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)naphthalene-2-carboxamide?
1-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)naphthalene-2-carboxamide has a molecular weight of 299.25 g/mol, XLogP of 2.20, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)naphthalene-2-carboxamide is sourced from PubChem (CID 103726312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).