2-(5-chloro-2-hydroxyphenyl)-N-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]acetamide

C17H13ClF5NO2 — CID 162575689

IUPAC2-(5-chloro-2-hydroxyphenyl)-N-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]acetamide
SMILESCC(F)(F)c1cc(NC(=O)Cc2cc(Cl)ccc2O)cc(C(F)(F)F)c1
InChIInChI=1S/C17H13ClF5NO2/c1-16(19,20)10-6-11(17(21,22)23)8-13(7-10)24-15(26)5-9-4-12(18)2-3-14(9)25/h2-4,6-8,25H,5H2,1H3,(H,24,26)
InChIKeyYGBOFOBGKDCRSR-UHFFFAOYSA-N
MW393.74 g/mol
LogP5.36
Rot. Bonds4

About 2-(5-chloro-2-hydroxyphenyl)-N-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]acetamide

2-(5-chloro-2-hydroxyphenyl)-N-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 162575689) has the molecular formula C17H13ClF5NO2 and a molecular weight of 393.74 g/mol. Its IUPAC name is 2-(5-chloro-2-hydroxyphenyl)-N-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-hydroxyphenyl)-N-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]acetamide
PubChem CID162575689
Molecular FormulaC17H13ClF5NO2
Molecular Weight393.74 g/mol
Exact Mass393.06
IUPAC Name2-(5-chloro-2-hydroxyphenyl)-N-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]acetamide
SMILESCC(F)(F)c1cc(NC(=O)Cc2cc(Cl)ccc2O)cc(C(F)(F)F)c1
InChIInChI=1S/C17H13ClF5NO2/c1-16(19,20)10-6-11(17(21,22)23)8-13(7-10)24-15(26)5-9-4-12(18)2-3-14(9)25/h2-4,6-8,25H,5H2,1H3,(H,24,26)
InChIKeyYGBOFOBGKDCRSR-UHFFFAOYSA-N
XLogP5.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.74
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(5-chloro-2-hydroxyphenyl)-N-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3,5-bis(trifluoromethyl)phenyl]-2-(2-hydroxyphenyl)acetamide
CID 60620663
2-(5-chloro-2-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 15907736
2-(4-acetamidophenyl)-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
CID 9207196
2-(4-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2666418
4-chloro-2-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]phenol
CID 63463410
N-[3-bromo-5-(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide
CID 71381238
2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 116699767
N-tert-butyl-5-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-2-methoxybenzamide
CID 139347852
N-(4-tert-butylphenyl)-2-(2,4-dichlorophenyl)acetamide
CID 7914224
N-(5-chloro-2-hydroxyphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 71508594
N-[3,5-bis(trifluoromethyl)phenyl]-2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2491833
N-[3,5-bis(trifluoromethyl)phenyl]-2-[[5-[(2,5-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 18871499

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-hydroxyphenyl)-N-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(5-chloro-2-hydroxyphenyl)-N-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]acetamide (CID 162575689) is 2-(5-chloro-2-hydroxyphenyl)-N-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(5-chloro-2-hydroxyphenyl)-N-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(5-chloro-2-hydroxyphenyl)-N-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]acetamide is CC(F)(F)c1cc(NC(=O)Cc2cc(Cl)ccc2O)cc(C(F)(F)F)c1.
What is the InChIKey of 2-(5-chloro-2-hydroxyphenyl)-N-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is YGBOFOBGKDCRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF5NO2/c1-16(19,20)10-6-11(17(21,22)23)8-13(7-10)24-15(26)5-9-4-12(18)2-3-14(9)25/h2-4,6-8,25H,5H2,1H3,(H,24,26).
What are the key properties of 2-(5-chloro-2-hydroxyphenyl)-N-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]acetamide?
2-(5-chloro-2-hydroxyphenyl)-N-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 393.74 g/mol, XLogP of 5.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-hydroxyphenyl)-N-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 162575689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).