N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylpropanamide

C18H18F3NO2 — CID 56765430

IUPACN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H18F3NO2/c19-18(20,21)15-9-7-14(8-10-15)16(23)12-22-17(24)11-6-13-4-2-1-3-5-13/h1-5,7-10,16,23H,6,11-12H2,(H,22,24)
InChIKeyWQKRLMQEBOBLBZ-UHFFFAOYSA-N
MW337.34 g/mol
LogP3.49
Rot. Bonds6

About N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylpropanamide

N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylpropanamide (PubChem CID 56765430) has the molecular formula C18H18F3NO2 and a molecular weight of 337.34 g/mol. Its IUPAC name is N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylpropanamide
PubChem CID56765430
Molecular FormulaC18H18F3NO2
Molecular Weight337.34 g/mol
Exact Mass337.13
IUPAC NameN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H18F3NO2/c19-18(20,21)15-9-7-14(8-10-15)16(23)12-22-17(24)11-6-13-4-2-1-3-5-13/h1-5,7-10,16,23H,6,11-12H2,(H,22,24)
InChIKeyWQKRLMQEBOBLBZ-UHFFFAOYSA-N
XLogP3.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]tridecanamide
CID 10045162
N-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]tetradecanamide
CID 11143662
N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]pentadecanamide
CID 10971504
N-(2-hydroxy-2-phenylethyl)-2-(4-methylphenyl)acetamide
CID 5079333
D-erythro-MAPP
CID 124735
N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]dodecanamide
CID 11046702
N-(3-(4-Carbomethoxyphenyl)propyl)-2-hydroxy-2-(3-trifluoromethylphenyl)ethanamine
CID 20501352
Methyl 2-[4-[2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]propyl]phenyl]-2-methylpropanoate;hydrobromide
CID 44522717
(+/-)N-(1-methyl-2-hydroxy-2-phenyl-ethyl) arachidonyl amine
CID 5283415
Secodemethylclausenamide
CID 70378439
N-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]hexadecanamide
CID 11080284
(2S)-2-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-[(2S)-1-hydroxy-5-phenylpentan-2-yl]propanamide
CID 9910028

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylpropanamide?
The IUPAC name of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylpropanamide (CID 56765430) is N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylpropanamide is O=C(CCc1ccccc1)NCC(O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylpropanamide?
The InChIKey is WQKRLMQEBOBLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO2/c19-18(20,21)15-9-7-14(8-10-15)16(23)12-22-17(24)11-6-13-4-2-1-3-5-13/h1-5,7-10,16,23H,6,11-12H2,(H,22,24).
What are the key properties of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylpropanamide?
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylpropanamide has a molecular weight of 337.34 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylpropanamide is sourced from PubChem (CID 56765430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).