N-(3-methoxyphenyl)-2-phenyl-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide

C23H21F3N2O2 — CID 143913122

IUPACN-(3-methoxyphenyl)-2-phenyl-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide
SMILESCOc1cccc(N(CCc2ccc(C(F)(F)F)nc2)C(=O)Cc2ccccc2)c1
InChIInChI=1S/C23H21F3N2O2/c1-30-20-9-5-8-19(15-20)28(22(29)14-17-6-3-2-4-7-17)13-12-18-10-11-21(27-16-18)23(24,25)26/h2-11,15-16H,12-14H2,1H3
InChIKeySEFBVYJBGAUJEV-UHFFFAOYSA-N
MW414.43 g/mol
LogP4.93
Rot. Bonds7

About N-(3-methoxyphenyl)-2-phenyl-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide

N-(3-methoxyphenyl)-2-phenyl-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide (PubChem CID 143913122) has the molecular formula C23H21F3N2O2 and a molecular weight of 414.43 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-phenyl-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-phenyl-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide
PubChem CID143913122
Molecular FormulaC23H21F3N2O2
Molecular Weight414.43 g/mol
Exact Mass414.16
IUPAC NameN-(3-methoxyphenyl)-2-phenyl-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide
SMILESCOc1cccc(N(CCc2ccc(C(F)(F)F)nc2)C(=O)Cc2ccccc2)c1
InChIInChI=1S/C23H21F3N2O2/c1-30-20-9-5-8-19(15-20)28(22(29)14-17-6-3-2-4-7-17)13-12-18-10-11-21(27-16-18)23(24,25)26/h2-11,15-16H,12-14H2,1H3
InChIKeySEFBVYJBGAUJEV-UHFFFAOYSA-N
XLogP4.93
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-2-(4-fluorophenyl)-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide
CID 143913112
2-(4-fluorophenyl)-N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 110360509
N-(1,3-dimethylindazol-5-yl)-2-(4-fluorophenyl)-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide
CID 143913104
4-[(3-methoxyphenyl)methyl-methylsulfonylamino]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide
CID 140515239
N-benzyl-2-(3-methoxyphenyl)-N-(2-phenylethyl)acetamide
CID 55331004
N-(3-methoxyphenyl)-N-methyl-2-(4-sulfanylphenyl)acetamide
CID 107027625
N-benzyl-N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-3-methoxybenzamide
CID 46052547
2-[6-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 51695709
3-[3-methoxy-N-[(4-methylphenyl)methyl]anilino]propanoic acid
CID 82317360
5-propyl-2-(trifluoromethyl)pyridine
CID 23544356
2-(3-methoxyphenyl)-N-methyl-N-(2-phenoxyethyl)acetamide
CID 78781283
N-(3-methoxyphenyl)-N-methyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 100787905

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-phenyl-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-phenyl-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide (CID 143913122) is N-(3-methoxyphenyl)-2-phenyl-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-phenyl-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-phenyl-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide is COc1cccc(N(CCc2ccc(C(F)(F)F)nc2)C(=O)Cc2ccccc2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-phenyl-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide?
The InChIKey is SEFBVYJBGAUJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O2/c1-30-20-9-5-8-19(15-20)28(22(29)14-17-6-3-2-4-7-17)13-12-18-10-11-21(27-16-18)23(24,25)26/h2-11,15-16H,12-14H2,1H3.
What are the key properties of N-(3-methoxyphenyl)-2-phenyl-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide?
N-(3-methoxyphenyl)-2-phenyl-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide has a molecular weight of 414.43 g/mol, XLogP of 4.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-phenyl-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide is sourced from PubChem (CID 143913122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).