N-[3-[5-(2,4,5-trifluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]acetamide

C19H12F3NO3S — CID 122652912

IUPACN-[3-[5-(2,4,5-trifluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ccc(C(=O)c3cc(F)c(F)c(O)c3F)s2)c1
InChIInChI=1S/C19H12F3NO3S/c1-9(24)23-11-4-2-3-10(7-11)14-5-6-15(27-14)18(25)12-8-13(20)17(22)19(26)16(12)21/h2-8,26H,1H3,(H,23,24)
InChIKeyOLOFWDXYPMUPTL-UHFFFAOYSA-N
MW391.37 g/mol
LogP4.73
Rot. Bonds4

About N-[3-[5-(2,4,5-trifluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]acetamide

N-[3-[5-(2,4,5-trifluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]acetamide (PubChem CID 122652912) has the molecular formula C19H12F3NO3S and a molecular weight of 391.37 g/mol. Its IUPAC name is N-[3-[5-(2,4,5-trifluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[5-(2,4,5-trifluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]acetamide
PubChem CID122652912
Molecular FormulaC19H12F3NO3S
Molecular Weight391.37 g/mol
Exact Mass391.05
IUPAC NameN-[3-[5-(2,4,5-trifluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ccc(C(=O)c3cc(F)c(F)c(O)c3F)s2)c1
InChIInChI=1S/C19H12F3NO3S/c1-9(24)23-11-4-2-3-10(7-11)14-5-6-15(27-14)18(25)12-8-13(20)17(22)19(26)16(12)21/h2-8,26H,1H3,(H,23,24)
InChIKeyOLOFWDXYPMUPTL-UHFFFAOYSA-N
XLogP4.73
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.37
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(2,4,5-trifluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]acetamide?
The IUPAC name of N-[3-[5-(2,4,5-trifluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]acetamide (CID 122652912) is N-[3-[5-(2,4,5-trifluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[5-(2,4,5-trifluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[5-(2,4,5-trifluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2ccc(C(=O)c3cc(F)c(F)c(O)c3F)s2)c1.
What is the InChIKey of N-[3-[5-(2,4,5-trifluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]acetamide?
The InChIKey is OLOFWDXYPMUPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3NO3S/c1-9(24)23-11-4-2-3-10(7-11)14-5-6-15(27-14)18(25)12-8-13(20)17(22)19(26)16(12)21/h2-8,26H,1H3,(H,23,24).
What are the key properties of N-[3-[5-(2,4,5-trifluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]acetamide?
N-[3-[5-(2,4,5-trifluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]acetamide has a molecular weight of 391.37 g/mol, XLogP of 4.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(2,4,5-trifluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]acetamide is sourced from PubChem (CID 122652912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).