N-methyl-2-[4-[4-[2-(trifluoromethyl)phenyl]butyl]phenyl]acetamide

C20H22F3NO — CID 59745025

IUPACN-methyl-2-[4-[4-[2-(trifluoromethyl)phenyl]butyl]phenyl]acetamide
SMILESCNC(=O)Cc1ccc(CCCCc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C20H22F3NO/c1-24-19(25)14-16-12-10-15(11-13-16)6-2-3-7-17-8-4-5-9-18(17)20(21,22)23/h4-5,8-13H,2-3,6-7,14H2,1H3,(H,24,25)
InChIKeyIFFWTYRWZSLATM-UHFFFAOYSA-N
MW349.40 g/mol
LogP4.56
Rot. Bonds7

About N-methyl-2-[4-[4-[2-(trifluoromethyl)phenyl]butyl]phenyl]acetamide

N-methyl-2-[4-[4-[2-(trifluoromethyl)phenyl]butyl]phenyl]acetamide (PubChem CID 59745025) has the molecular formula C20H22F3NO and a molecular weight of 349.40 g/mol. Its IUPAC name is N-methyl-2-[4-[4-[2-(trifluoromethyl)phenyl]butyl]phenyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-[4-[2-(trifluoromethyl)phenyl]butyl]phenyl]acetamide
PubChem CID59745025
Molecular FormulaC20H22F3NO
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC NameN-methyl-2-[4-[4-[2-(trifluoromethyl)phenyl]butyl]phenyl]acetamide
SMILESCNC(=O)Cc1ccc(CCCCc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C20H22F3NO/c1-24-19(25)14-16-12-10-15(11-13-16)6-2-3-7-17-8-4-5-9-18(17)20(21,22)23/h4-5,8-13H,2-3,6-7,14H2,1H3,(H,24,25)
InChIKeyIFFWTYRWZSLATM-UHFFFAOYSA-N
XLogP4.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]acetamide
CID 43214376
4-[2-(trifluoromethyl)phenyl]butan-2-one
CID 11746021
N-methyl-4-[4-(4-phenylbutyl)phenyl]butanamide
CID 58974296
1-(trifluoromethyl)-2-[2-[2-(trifluoromethyl)phenyl]ethyl]benzene
CID 2773232
methanol;2-[2-(trifluoromethyl)phenyl]acetic acid
CID 70254547
N-methyl-9-phenylnonanamide
CID 118028570
4-(tert-butylamino)-2,2-dimethyl-7-[2-(trifluoromethyl)phenyl]heptan-3-one
CID 58061649
1-[2-(trifluoromethyl)phenyl]hexan-3-one
CID 64505702
2-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 668862
2-(4-phenylphenyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 26087747
5-(methylamino)-1-[2-(trifluoromethyl)phenyl]pentan-2-one
CID 112739531
1,3-dimethyl-2-[3-[2-(trifluoromethyl)phenyl]propyl]benzene
CID 54377530

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[4-[2-(trifluoromethyl)phenyl]butyl]phenyl]acetamide?
The IUPAC name of N-methyl-2-[4-[4-[2-(trifluoromethyl)phenyl]butyl]phenyl]acetamide (CID 59745025) is N-methyl-2-[4-[4-[2-(trifluoromethyl)phenyl]butyl]phenyl]acetamide.
What is the SMILES notation for N-methyl-2-[4-[4-[2-(trifluoromethyl)phenyl]butyl]phenyl]acetamide?
The canonical SMILES for N-methyl-2-[4-[4-[2-(trifluoromethyl)phenyl]butyl]phenyl]acetamide is CNC(=O)Cc1ccc(CCCCc2ccccc2C(F)(F)F)cc1.
What is the InChIKey of N-methyl-2-[4-[4-[2-(trifluoromethyl)phenyl]butyl]phenyl]acetamide?
The InChIKey is IFFWTYRWZSLATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3NO/c1-24-19(25)14-16-12-10-15(11-13-16)6-2-3-7-17-8-4-5-9-18(17)20(21,22)23/h4-5,8-13H,2-3,6-7,14H2,1H3,(H,24,25).
What are the key properties of N-methyl-2-[4-[4-[2-(trifluoromethyl)phenyl]butyl]phenyl]acetamide?
N-methyl-2-[4-[4-[2-(trifluoromethyl)phenyl]butyl]phenyl]acetamide has a molecular weight of 349.40 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[4-[2-(trifluoromethyl)phenyl]butyl]phenyl]acetamide is sourced from PubChem (CID 59745025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).