3,3,3-trifluoro-2-hydroxy-2-methyl-N-[2-methyl-4-[(E)-2-phenylethenyl]phenyl]propanamide

C19H18F3NO2 — CID 174444790

IUPAC3,3,3-trifluoro-2-hydroxy-2-methyl-N-[2-methyl-4-[(E)-2-phenylethenyl]phenyl]propanamide
SMILESCc1cc(/C=C/c2ccccc2)ccc1NC(=O)C(C)(O)C(F)(F)F
InChIInChI=1S/C19H18F3NO2/c1-13-12-15(9-8-14-6-4-3-5-7-14)10-11-16(13)23-17(24)18(2,25)19(20,21)22/h3-12,25H,1-2H3,(H,23,24)/b9-8+
InChIKeyWPWCTEHVYIALIW-CMDGGOBGSA-N
MW349.35 g/mol
LogP4.42
Rot. Bonds4

About 3,3,3-trifluoro-2-hydroxy-2-methyl-N-[2-methyl-4-[(E)-2-phenylethenyl]phenyl]propanamide

3,3,3-trifluoro-2-hydroxy-2-methyl-N-[2-methyl-4-[(E)-2-phenylethenyl]phenyl]propanamide (PubChem CID 174444790) has the molecular formula C19H18F3NO2 and a molecular weight of 349.35 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-hydroxy-2-methyl-N-[2-methyl-4-[(E)-2-phenylethenyl]phenyl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-hydroxy-2-methyl-N-[2-methyl-4-[(E)-2-phenylethenyl]phenyl]propanamide
PubChem CID174444790
Molecular FormulaC19H18F3NO2
Molecular Weight349.35 g/mol
Exact Mass349.13
IUPAC Name3,3,3-trifluoro-2-hydroxy-2-methyl-N-[2-methyl-4-[(E)-2-phenylethenyl]phenyl]propanamide
SMILESCc1cc(/C=C/c2ccccc2)ccc1NC(=O)C(C)(O)C(F)(F)F
InChIInChI=1S/C19H18F3NO2/c1-13-12-15(9-8-14-6-4-3-5-7-14)10-11-16(13)23-17(24)18(2,25)19(20,21)22/h3-12,25H,1-2H3,(H,23,24)/b9-8+
InChIKeyWPWCTEHVYIALIW-CMDGGOBGSA-N
XLogP4.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-[4-(benzenesulfonyl)-2-methylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 69113195
N-(4-bromo-2-methylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287259
(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-N-(2-phenylphenyl)propanamide
CID 10590975
N-(2-chlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287271
3-chloro-N-(4-chloro-2-methylphenyl)-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]benzamide
CID 90468953
N-(4-benzyl-2-chlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287318
(E)-3-(4-acetamido-3-methylphenyl)prop-2-enoic acid
CID 18321824
2-acetamido-5-[(E)-2-phenylethenyl]benzoic acid
CID 18405742
2-acetamido-5-(2-phenylethenyl)benzoic acid
CID 70120363
N-[4-(benzylamino)-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287342
2,2,2-trifluoro-N-[4-[(E)-2-phenylethenyl]phenyl]acetamide
CID 141369710
N-[3-chloro-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]phenyl]sulfonylbenzamide
CID 18758712

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-hydroxy-2-methyl-N-[2-methyl-4-[(E)-2-phenylethenyl]phenyl]propanamide?
The IUPAC name of 3,3,3-trifluoro-2-hydroxy-2-methyl-N-[2-methyl-4-[(E)-2-phenylethenyl]phenyl]propanamide (CID 174444790) is 3,3,3-trifluoro-2-hydroxy-2-methyl-N-[2-methyl-4-[(E)-2-phenylethenyl]phenyl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-2-hydroxy-2-methyl-N-[2-methyl-4-[(E)-2-phenylethenyl]phenyl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-2-hydroxy-2-methyl-N-[2-methyl-4-[(E)-2-phenylethenyl]phenyl]propanamide is Cc1cc(/C=C/c2ccccc2)ccc1NC(=O)C(C)(O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-hydroxy-2-methyl-N-[2-methyl-4-[(E)-2-phenylethenyl]phenyl]propanamide?
The InChIKey is WPWCTEHVYIALIW-CMDGGOBGSA-N. The full InChI is InChI=1S/C19H18F3NO2/c1-13-12-15(9-8-14-6-4-3-5-7-14)10-11-16(13)23-17(24)18(2,25)19(20,21)22/h3-12,25H,1-2H3,(H,23,24)/b9-8+.
What are the key properties of 3,3,3-trifluoro-2-hydroxy-2-methyl-N-[2-methyl-4-[(E)-2-phenylethenyl]phenyl]propanamide?
3,3,3-trifluoro-2-hydroxy-2-methyl-N-[2-methyl-4-[(E)-2-phenylethenyl]phenyl]propanamide has a molecular weight of 349.35 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-hydroxy-2-methyl-N-[2-methyl-4-[(E)-2-phenylethenyl]phenyl]propanamide is sourced from PubChem (CID 174444790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).