3-(3-chlorophenyl)-3-(2-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)propanamide

C17H15ClF3NO2 — CID 45232463

IUPAC3-(3-chlorophenyl)-3-(2-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESO=C(CC(c1cccc(Cl)c1)c1ccccc1O)NCC(F)(F)F
InChIInChI=1S/C17H15ClF3NO2/c18-12-5-3-4-11(8-12)14(13-6-1-2-7-15(13)23)9-16(24)22-10-17(19,20)21/h1-8,14,23H,9-10H2,(H,22,24)
InChIKeyJRYPTQUKGWSGRC-UHFFFAOYSA-N
MW357.76 g/mol
LogP4.25
Rot. Bonds5

About 3-(3-chlorophenyl)-3-(2-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)propanamide

3-(3-chlorophenyl)-3-(2-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 45232463) has the molecular formula C17H15ClF3NO2 and a molecular weight of 357.76 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-3-(2-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-3-(2-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID45232463
Molecular FormulaC17H15ClF3NO2
Molecular Weight357.76 g/mol
Exact Mass357.07
IUPAC Name3-(3-chlorophenyl)-3-(2-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESO=C(CC(c1cccc(Cl)c1)c1ccccc1O)NCC(F)(F)F
InChIInChI=1S/C17H15ClF3NO2/c18-12-5-3-4-11(8-12)14(13-6-1-2-7-15(13)23)9-16(24)22-10-17(19,20)21/h1-8,14,23H,9-10H2,(H,22,24)
InChIKeyJRYPTQUKGWSGRC-UHFFFAOYSA-N
XLogP4.25
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.76
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-3-(2-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 3-(3-chlorophenyl)-3-(2-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)propanamide (CID 45232463) is 3-(3-chlorophenyl)-3-(2-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 3-(3-chlorophenyl)-3-(2-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 3-(3-chlorophenyl)-3-(2-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)propanamide is O=C(CC(c1cccc(Cl)c1)c1ccccc1O)NCC(F)(F)F.
What is the InChIKey of 3-(3-chlorophenyl)-3-(2-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is JRYPTQUKGWSGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3NO2/c18-12-5-3-4-11(8-12)14(13-6-1-2-7-15(13)23)9-16(24)22-10-17(19,20)21/h1-8,14,23H,9-10H2,(H,22,24).
What are the key properties of 3-(3-chlorophenyl)-3-(2-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)propanamide?
3-(3-chlorophenyl)-3-(2-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 357.76 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-3-(2-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 45232463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).