2-[3,5-bis(trifluoromethyl)phenyl]-N-[[2-(2-chlorophenyl)phenyl]methyl]-2-methylpropanamide

C25H20ClF6NO — CID 57031934

IUPAC2-[3,5-bis(trifluoromethyl)phenyl]-N-[[2-(2-chlorophenyl)phenyl]methyl]-2-methylpropanamide
SMILESCC(C)(C(=O)NCc1ccccc1-c1ccccc1Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C25H20ClF6NO/c1-23(2,16-11-17(24(27,28)29)13-18(12-16)25(30,31)32)22(34)33-14-15-7-3-4-8-19(15)20-9-5-6-10-21(20)26/h3-13H,14H2,1-2H3,(H,33,34)
InChIKeyFYOMVNQFHHUDPP-UHFFFAOYSA-N
MW499.88 g/mol
LogP7.64
Rot. Bonds5

About 2-[3,5-bis(trifluoromethyl)phenyl]-N-[[2-(2-chlorophenyl)phenyl]methyl]-2-methylpropanamide

2-[3,5-bis(trifluoromethyl)phenyl]-N-[[2-(2-chlorophenyl)phenyl]methyl]-2-methylpropanamide (PubChem CID 57031934) has the molecular formula C25H20ClF6NO and a molecular weight of 499.88 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]-N-[[2-(2-chlorophenyl)phenyl]methyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)phenyl]-N-[[2-(2-chlorophenyl)phenyl]methyl]-2-methylpropanamide
PubChem CID57031934
Molecular FormulaC25H20ClF6NO
Molecular Weight499.88 g/mol
Exact Mass499.11
IUPAC Name2-[3,5-bis(trifluoromethyl)phenyl]-N-[[2-(2-chlorophenyl)phenyl]methyl]-2-methylpropanamide
SMILESCC(C)(C(=O)NCc1ccccc1-c1ccccc1Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C25H20ClF6NO/c1-23(2,16-11-17(24(27,28)29)13-18(12-16)25(30,31)32)22(34)33-14-15-7-3-4-8-19(15)20-9-5-6-10-21(20)26/h3-13H,14H2,1-2H3,(H,33,34)
InChIKeyFYOMVNQFHHUDPP-UHFFFAOYSA-N
XLogP7.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.88
LogP ≤ 57.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N'-[3,5-bis(trifluoromethyl)phenyl]-N-[(2-chlorophenyl)methyl]oxamide
CID 108506154
2-amino-N-[(2-chlorophenyl)methyl]-2-methylbutanamide
CID 79796852
N-[(2-chlorophenyl)methyl]-2-(dimethylamino)-2-methylpropanamide
CID 71847666
N-[(2-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)-2,2-dimethylpropanamide
CID 59778496
1-[(2-chlorophenyl)methyl]-3-[2-chloro-5-(trifluoromethyl)phenyl]urea
CID 17087720
1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-chloro-N-[(2-chlorophenyl)methyl]triazole-4-carboxamide
CID 10311263
N-(2-amino-2-methylpropyl)-2-methyl-2-[3-(trifluoromethyl)phenyl]propanamide
CID 119628714
2-[[2-(2-chlorophenyl)phenyl]methylamino]acetamide
CID 19105319
N-[(2-chlorophenyl)methyl]-N'-[(4-fluorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108962520
2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-(2-hydroxyethoxy)-3-pyridinyl]-N,2-dimethylpropanamide
CID 11584906
N-[(2-chlorophenyl)methyl]-2-(4-ethylphenyl)-3,3,3-trifluoro-2-hydroxypropanamide
CID 141336561
(3S)-N-[(2-chlorophenyl)methyl]-4,4,4-trifluoro-3-hydroxy-3-methylbutanamide
CID 9079138

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[[2-(2-chlorophenyl)phenyl]methyl]-2-methylpropanamide?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[[2-(2-chlorophenyl)phenyl]methyl]-2-methylpropanamide (CID 57031934) is 2-[3,5-bis(trifluoromethyl)phenyl]-N-[[2-(2-chlorophenyl)phenyl]methyl]-2-methylpropanamide.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[[2-(2-chlorophenyl)phenyl]methyl]-2-methylpropanamide?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[[2-(2-chlorophenyl)phenyl]methyl]-2-methylpropanamide is CC(C)(C(=O)NCc1ccccc1-c1ccccc1Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[[2-(2-chlorophenyl)phenyl]methyl]-2-methylpropanamide?
The InChIKey is FYOMVNQFHHUDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClF6NO/c1-23(2,16-11-17(24(27,28)29)13-18(12-16)25(30,31)32)22(34)33-14-15-7-3-4-8-19(15)20-9-5-6-10-21(20)26/h3-13H,14H2,1-2H3,(H,33,34).
What are the key properties of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[[2-(2-chlorophenyl)phenyl]methyl]-2-methylpropanamide?
2-[3,5-bis(trifluoromethyl)phenyl]-N-[[2-(2-chlorophenyl)phenyl]methyl]-2-methylpropanamide has a molecular weight of 499.88 g/mol, XLogP of 7.64, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[[2-(2-chlorophenyl)phenyl]methyl]-2-methylpropanamide is sourced from PubChem (CID 57031934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).