N-[(2-chlorophenyl)methyl]-2-(4-ethylphenyl)-3,3,3-trifluoro-2-hydroxypropanamide

C18H17ClF3NO2 — CID 141336561

IUPACN-[(2-chlorophenyl)methyl]-2-(4-ethylphenyl)-3,3,3-trifluoro-2-hydroxypropanamide
SMILESCCc1ccc(C(O)(C(=O)NCc2ccccc2Cl)C(F)(F)F)cc1
InChIInChI=1S/C18H17ClF3NO2/c1-2-12-7-9-14(10-8-12)17(25,18(20,21)22)16(24)23-11-13-5-3-4-6-15(13)19/h3-10,25H,2,11H2,1H3,(H,23,24)
InChIKeyFYZMZYMURGNXNA-UHFFFAOYSA-N
MW371.79 g/mol
LogP3.97
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-2-(4-ethylphenyl)-3,3,3-trifluoro-2-hydroxypropanamide

N-[(2-chlorophenyl)methyl]-2-(4-ethylphenyl)-3,3,3-trifluoro-2-hydroxypropanamide (PubChem CID 141336561) has the molecular formula C18H17ClF3NO2 and a molecular weight of 371.79 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(4-ethylphenyl)-3,3,3-trifluoro-2-hydroxypropanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(4-ethylphenyl)-3,3,3-trifluoro-2-hydroxypropanamide
PubChem CID141336561
Molecular FormulaC18H17ClF3NO2
Molecular Weight371.79 g/mol
Exact Mass371.09
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(4-ethylphenyl)-3,3,3-trifluoro-2-hydroxypropanamide
SMILESCCc1ccc(C(O)(C(=O)NCc2ccccc2Cl)C(F)(F)F)cc1
InChIInChI=1S/C18H17ClF3NO2/c1-2-12-7-9-14(10-8-12)17(25,18(20,21)22)16(24)23-11-13-5-3-4-6-15(13)19/h3-10,25H,2,11H2,1H3,(H,23,24)
InChIKeyFYZMZYMURGNXNA-UHFFFAOYSA-N
XLogP3.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.79
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(4-ethylanilino)acetamide
CID 108998040
N-[(2-chlorophenyl)methyl]-N'-[(4-fluorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108962520
2-amino-N-[(2-chlorophenyl)methyl]-2-methylbutanamide
CID 79796852
(3S)-N-[(2-chlorophenyl)methyl]-4,4,4-trifluoro-3-hydroxy-3-methylbutanamide
CID 9079138
N-[(2-chlorophenyl)methyl]-N'-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]oxamide
CID 95367454
N-[(2-chlorophenyl)methyl]-N'-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide
CID 56764248
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium
CID 9221563
N-[(2-chlorophenyl)methyl]-2-(dimethylamino)-2-methylpropanamide
CID 71847666
2-N-[(2-chlorophenyl)methyl]-6-N-(4-ethylphenyl)pyridine-2,6-dicarboxamide
CID 109097909
2-(4-chloro-3-fluorophenyl)-3,3,3-trifluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-hydroxypropanamide
CID 58960044
ethyl (2R)-2-(4-ethylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate
CID 159573872
[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 4-(trifluoromethyl)benzoate
CID 46630031

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(4-ethylphenyl)-3,3,3-trifluoro-2-hydroxypropanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(4-ethylphenyl)-3,3,3-trifluoro-2-hydroxypropanamide (CID 141336561) is N-[(2-chlorophenyl)methyl]-2-(4-ethylphenyl)-3,3,3-trifluoro-2-hydroxypropanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(4-ethylphenyl)-3,3,3-trifluoro-2-hydroxypropanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(4-ethylphenyl)-3,3,3-trifluoro-2-hydroxypropanamide is CCc1ccc(C(O)(C(=O)NCc2ccccc2Cl)C(F)(F)F)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(4-ethylphenyl)-3,3,3-trifluoro-2-hydroxypropanamide?
The InChIKey is FYZMZYMURGNXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF3NO2/c1-2-12-7-9-14(10-8-12)17(25,18(20,21)22)16(24)23-11-13-5-3-4-6-15(13)19/h3-10,25H,2,11H2,1H3,(H,23,24).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(4-ethylphenyl)-3,3,3-trifluoro-2-hydroxypropanamide?
N-[(2-chlorophenyl)methyl]-2-(4-ethylphenyl)-3,3,3-trifluoro-2-hydroxypropanamide has a molecular weight of 371.79 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(4-ethylphenyl)-3,3,3-trifluoro-2-hydroxypropanamide is sourced from PubChem (CID 141336561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).