2-cyano-N-[(R)-(4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]acetamide

C18H15F3N2O2 — CID 129380147

IUPAC2-cyano-N-[(R)-(4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCOc1ccc([C@H](NC(=O)CC#N)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H15F3N2O2/c1-25-15-8-4-13(5-9-15)17(23-16(24)10-11-22)12-2-6-14(7-3-12)18(19,20)21/h2-9,17H,10H2,1H3,(H,23,24)/t17-/m1/s1
InChIKeyCZEIJXQCNAEQTE-QGZVFWFLSA-N
MW348.32 g/mol
LogP3.83
Rot. Bonds5

About 2-cyano-N-[(R)-(4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]acetamide

2-cyano-N-[(R)-(4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 129380147) has the molecular formula C18H15F3N2O2 and a molecular weight of 348.32 g/mol. Its IUPAC name is 2-cyano-N-[(R)-(4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[(R)-(4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID129380147
Molecular FormulaC18H15F3N2O2
Molecular Weight348.32 g/mol
Exact Mass348.11
IUPAC Name2-cyano-N-[(R)-(4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCOc1ccc([C@H](NC(=O)CC#N)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H15F3N2O2/c1-25-15-8-4-13(5-9-15)17(23-16(24)10-11-22)12-2-6-14(7-3-12)18(19,20)21/h2-9,17H,10H2,1H3,(H,23,24)/t17-/m1/s1
InChIKeyCZEIJXQCNAEQTE-QGZVFWFLSA-N
XLogP3.83
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[bis(4-methoxyphenyl)methyl]-2-(methylamino)acetamide
CID 18197515
N-[bis(4-methoxyphenyl)methyl]-2-chloroacetamide
CID 4962456
N'-(4-methoxybenzoyl)-4-(trifluoromethyl)benzohydrazide
CID 2548088
2,2-difluoro-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-phenylacetamide
CID 51950712
3-acetamido-3-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 46689046
N-[bis(4-methoxyphenyl)methyl]-2-(dipropylamino)acetamide
CID 34600383
N-[2-[(2-cyanoacetyl)amino]ethyl]-4-methoxybenzamide
CID 108537249
N-[2-oxo-2-[[phenyl-[4-(trifluoromethyl)phenyl]methyl]amino]ethyl]propanamide
CID 68870970
N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-2-(4-methoxyphenyl)acetamide
CID 110440139
[(2-cyanoacetyl)oxy-(4-methoxyphenyl)methyl] 2-cyanoacetate
CID 54165205
2-anilino-N-[bis(4-methoxyphenyl)methyl]acetamide
CID 18197509
2-cyano-N-[[4-[(dimethylamino)methyl]phenyl]-pyridin-4-ylmethyl]acetamide
CID 110444952

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(R)-(4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-cyano-N-[(R)-(4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]acetamide (CID 129380147) is 2-cyano-N-[(R)-(4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-cyano-N-[(R)-(4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-cyano-N-[(R)-(4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]acetamide is COc1ccc([C@H](NC(=O)CC#N)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 2-cyano-N-[(R)-(4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is CZEIJXQCNAEQTE-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H15F3N2O2/c1-25-15-8-4-13(5-9-15)17(23-16(24)10-11-22)12-2-6-14(7-3-12)18(19,20)21/h2-9,17H,10H2,1H3,(H,23,24)/t17-/m1/s1.
What are the key properties of 2-cyano-N-[(R)-(4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]acetamide?
2-cyano-N-[(R)-(4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 348.32 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(R)-(4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 129380147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).