2-chloro-N-[2,4-difluoro-6-hydroxy-3-(3,4,5-trifluorophenyl)phenyl]acetamide

C14H7ClF5NO2 — CID 175575740

IUPAC2-chloro-N-[2,4-difluoro-6-hydroxy-3-(3,4,5-trifluorophenyl)phenyl]acetamide
SMILESO=C(CCl)Nc1c(O)cc(F)c(-c2cc(F)c(F)c(F)c2)c1F
InChIInChI=1S/C14H7ClF5NO2/c15-4-10(23)21-14-9(22)3-6(16)11(13(14)20)5-1-7(17)12(19)8(18)2-5/h1-3,22H,4H2,(H,21,23)
InChIKeyKCTYZLOYOADXCW-UHFFFAOYSA-N
MW351.66 g/mol
LogP3.93
Rot. Bonds3

About 2-chloro-N-[2,4-difluoro-6-hydroxy-3-(3,4,5-trifluorophenyl)phenyl]acetamide

2-chloro-N-[2,4-difluoro-6-hydroxy-3-(3,4,5-trifluorophenyl)phenyl]acetamide (PubChem CID 175575740) has the molecular formula C14H7ClF5NO2 and a molecular weight of 351.66 g/mol. Its IUPAC name is 2-chloro-N-[2,4-difluoro-6-hydroxy-3-(3,4,5-trifluorophenyl)phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2,4-difluoro-6-hydroxy-3-(3,4,5-trifluorophenyl)phenyl]acetamide
PubChem CID175575740
Molecular FormulaC14H7ClF5NO2
Molecular Weight351.66 g/mol
Exact Mass351.01
IUPAC Name2-chloro-N-[2,4-difluoro-6-hydroxy-3-(3,4,5-trifluorophenyl)phenyl]acetamide
SMILESO=C(CCl)Nc1c(O)cc(F)c(-c2cc(F)c(F)c(F)c2)c1F
InChIInChI=1S/C14H7ClF5NO2/c15-4-10(23)21-14-9(22)3-6(16)11(13(14)20)5-1-7(17)12(19)8(18)2-5/h1-3,22H,4H2,(H,21,23)
InChIKeyKCTYZLOYOADXCW-UHFFFAOYSA-N
XLogP3.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.66
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2,4-difluoro-6-hydroxy-3-(3,4,5-trifluorophenyl)phenyl]acetamide?
The IUPAC name of 2-chloro-N-[2,4-difluoro-6-hydroxy-3-(3,4,5-trifluorophenyl)phenyl]acetamide (CID 175575740) is 2-chloro-N-[2,4-difluoro-6-hydroxy-3-(3,4,5-trifluorophenyl)phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2,4-difluoro-6-hydroxy-3-(3,4,5-trifluorophenyl)phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[2,4-difluoro-6-hydroxy-3-(3,4,5-trifluorophenyl)phenyl]acetamide is O=C(CCl)Nc1c(O)cc(F)c(-c2cc(F)c(F)c(F)c2)c1F.
What is the InChIKey of 2-chloro-N-[2,4-difluoro-6-hydroxy-3-(3,4,5-trifluorophenyl)phenyl]acetamide?
The InChIKey is KCTYZLOYOADXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF5NO2/c15-4-10(23)21-14-9(22)3-6(16)11(13(14)20)5-1-7(17)12(19)8(18)2-5/h1-3,22H,4H2,(H,21,23).
What are the key properties of 2-chloro-N-[2,4-difluoro-6-hydroxy-3-(3,4,5-trifluorophenyl)phenyl]acetamide?
2-chloro-N-[2,4-difluoro-6-hydroxy-3-(3,4,5-trifluorophenyl)phenyl]acetamide has a molecular weight of 351.66 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2,4-difluoro-6-hydroxy-3-(3,4,5-trifluorophenyl)phenyl]acetamide is sourced from PubChem (CID 175575740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).