2-hydroxy-N-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]benzamide

C16H13F4NO3 — CID 30206059

IUPAC2-hydroxy-N-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]benzamide
SMILESO=C(Nc1ccccc1OCC(F)(F)C(F)F)c1ccccc1O
InChIInChI=1S/C16H13F4NO3/c17-15(18)16(19,20)9-24-13-8-4-2-6-11(13)21-14(23)10-5-1-3-7-12(10)22/h1-8,15,22H,9H2,(H,21,23)
InChIKeyCQMQMTNTSQFJDC-UHFFFAOYSA-N
MW343.28 g/mol
LogP3.92
Rot. Bonds6

About 2-hydroxy-N-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]benzamide

2-hydroxy-N-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]benzamide (PubChem CID 30206059) has the molecular formula C16H13F4NO3 and a molecular weight of 343.28 g/mol. Its IUPAC name is 2-hydroxy-N-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]benzamide
PubChem CID30206059
Molecular FormulaC16H13F4NO3
Molecular Weight343.28 g/mol
Exact Mass343.08
IUPAC Name2-hydroxy-N-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]benzamide
SMILESO=C(Nc1ccccc1OCC(F)(F)C(F)F)c1ccccc1O
InChIInChI=1S/C16H13F4NO3/c17-15(18)16(19,20)9-24-13-8-4-2-6-11(13)21-14(23)10-5-1-3-7-12(10)22/h1-8,15,22H,9H2,(H,21,23)
InChIKeyCQMQMTNTSQFJDC-UHFFFAOYSA-N
XLogP3.92
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.28
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]benzamide
CID 7220942
ethyl 2-(2,2,3,3-tetrafluoropropoxy)benzoate
CID 19622898
(2-hydroxyphenyl)-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone
CID 150510109
2-(2,2,3,3-tetrafluoropropoxy)benzenecarbothioamide
CID 29004799
2,6-dichloro-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide
CID 52803644
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(difluoromethoxy)benzamide
CID 30473926
N-[2-(difluoromethoxy)phenyl]-2-ethoxybenzamide
CID 17394090
2-chloro-N-[2-(2,2-difluoroethoxy)phenyl]pyridine-3-carboxamide
CID 86257016
N-[2-(cyanomethoxy)phenyl]-4-fluoro-2-hydroxybenzamide
CID 107014799
2-fluoro-N-[2-(2-methylprop-2-enoxy)phenyl]benzamide
CID 17113262
2-[(2-methoxyphenyl)carbamoyl]benzoic acid
CID 762850
4-bromo-N-[5-chloro-2-(2,2,3,3-tetrafluoropropoxy)phenyl]benzamide
CID 1247533

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]benzamide?
The IUPAC name of 2-hydroxy-N-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]benzamide (CID 30206059) is 2-hydroxy-N-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]benzamide.
What is the SMILES notation for 2-hydroxy-N-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]benzamide?
The canonical SMILES for 2-hydroxy-N-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]benzamide is O=C(Nc1ccccc1OCC(F)(F)C(F)F)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]benzamide?
The InChIKey is CQMQMTNTSQFJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F4NO3/c17-15(18)16(19,20)9-24-13-8-4-2-6-11(13)21-14(23)10-5-1-3-7-12(10)22/h1-8,15,22H,9H2,(H,21,23).
What are the key properties of 2-hydroxy-N-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]benzamide?
2-hydroxy-N-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]benzamide has a molecular weight of 343.28 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]benzamide is sourced from PubChem (CID 30206059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).