(2R)-2-methyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butanamide

C18H18F3NO — CID 157198688

IUPAC(2R)-2-methyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butanamide
SMILESC[C@H](CCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(N)=O
InChIInChI=1S/C18H18F3NO/c1-12(17(22)23)2-3-13-4-6-14(7-5-13)15-8-10-16(11-9-15)18(19,20)21/h4-12H,2-3H2,1H3,(H2,22,23)/t12-/m1/s1
InChIKeyAQNWLULAEDDSMP-GFCCVEGCSA-N
MW321.34 g/mol
LogP4.43
Rot. Bonds5

About (2R)-2-methyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butanamide

(2R)-2-methyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butanamide (PubChem CID 157198688) has the molecular formula C18H18F3NO and a molecular weight of 321.34 g/mol. Its IUPAC name is (2R)-2-methyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butanamide.

Molecular Properties

Compound Name(2R)-2-methyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butanamide
PubChem CID157198688
Molecular FormulaC18H18F3NO
Molecular Weight321.34 g/mol
Exact Mass321.13
IUPAC Name(2R)-2-methyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butanamide
SMILESC[C@H](CCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(N)=O
InChIInChI=1S/C18H18F3NO/c1-12(17(22)23)2-3-13-4-6-14(7-5-13)15-8-10-16(11-9-15)18(19,20)21/h4-12H,2-3H2,1H3,(H2,22,23)/t12-/m1/s1
InChIKeyAQNWLULAEDDSMP-GFCCVEGCSA-N
XLogP4.43
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-4-[4-(trifluoromethyl)phenyl]butanoic acid
CID 81007800
4-[4-(aminomethyl)phenyl]-2-methylbutanamide
CID 175316753
N-(3-aminobutyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
CID 119495884
2-amino-N-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]hexanamide
CID 162721267
(2S)-2-(methylamino)-N-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]butanamide
CID 162721230
methanesulfonic acid;(2S)-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylamino]propanamide
CID 154730643
2-methyl-4-[4-(trifluoromethyl)phenyl]butan-1-ol
CID 64666701
(2S)-2-methyl-4-phenylbutanamide;molecular hydrogen
CID 143947472
(2S)-2-amino-N-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]hexanamide;hydrochloride
CID 162721213
(2S)-2-amino-N-chloro-N-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]hexanamide
CID 168861912
ethyl acetate;2-methyl-4-[4-(10,10,10-trifluorodecyl)phenyl]butanamide
CID 161362380
ethane;2-methyl-4-(4-phenylphenyl)butanoic acid
CID 144791729

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butanamide?
The IUPAC name of (2R)-2-methyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butanamide (CID 157198688) is (2R)-2-methyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butanamide.
What is the SMILES notation for (2R)-2-methyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butanamide?
The canonical SMILES for (2R)-2-methyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butanamide is C[C@H](CCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(N)=O.
What is the InChIKey of (2R)-2-methyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butanamide?
The InChIKey is AQNWLULAEDDSMP-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H18F3NO/c1-12(17(22)23)2-3-13-4-6-14(7-5-13)15-8-10-16(11-9-15)18(19,20)21/h4-12H,2-3H2,1H3,(H2,22,23)/t12-/m1/s1.
What are the key properties of (2R)-2-methyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butanamide?
(2R)-2-methyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butanamide has a molecular weight of 321.34 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butanamide is sourced from PubChem (CID 157198688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).