N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-4-methylbenzamide

C17H16F3NO2 — CID 163867885

IUPACN-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-4-methylbenzamide
SMILESCOc1ccc(CNC(=O)c2ccc(C)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C17H16F3NO2/c1-11-3-5-12(6-4-11)16(22)21-10-13-7-8-14(23-2)9-15(13)17(18,19)20/h3-9H,10H2,1-2H3,(H,21,22)
InChIKeyKFUDDHDDMFAYDU-UHFFFAOYSA-N
MW323.31 g/mol
LogP3.95
Rot. Bonds4

About N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-4-methylbenzamide

N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-4-methylbenzamide (PubChem CID 163867885) has the molecular formula C17H16F3NO2 and a molecular weight of 323.31 g/mol. Its IUPAC name is N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-4-methylbenzamide
PubChem CID163867885
Molecular FormulaC17H16F3NO2
Molecular Weight323.31 g/mol
Exact Mass323.11
IUPAC NameN-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-4-methylbenzamide
SMILESCOc1ccc(CNC(=O)c2ccc(C)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C17H16F3NO2/c1-11-3-5-12(6-4-11)16(22)21-10-13-7-8-14(23-2)9-15(13)17(18,19)20/h3-9H,10H2,1-2H3,(H,21,22)
InChIKeyKFUDDHDDMFAYDU-UHFFFAOYSA-N
XLogP3.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-dimethylphenyl)methyl]-4-methoxybenzamide
CID 3289325
N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]prop-2-enamide
CID 146089817
3-cyclopentyloxy-4-fluoro-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]benzamide
CID 137362029
(2S)-2-amino-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride
CID 119313991
2-(2-aminoethyl)-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 70865536
4-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]benzamide
CID 71822536
1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide
CID 46542093
N-[(2-chloro-4-methoxyphenyl)methyl]-4-fluorobenzamide
CID 110783290
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
CID 108537787
N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methylbenzamide
CID 71822155
4-(2-amino-2-oxoethoxy)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]benzamide
CID 78876425
2-(cyclopropylmethylamino)-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride
CID 119767143

Frequently Asked Questions

What is the IUPAC name of N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-4-methylbenzamide?
The IUPAC name of N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-4-methylbenzamide (CID 163867885) is N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-4-methylbenzamide.
What is the SMILES notation for N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-4-methylbenzamide?
The canonical SMILES for N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-4-methylbenzamide is COc1ccc(CNC(=O)c2ccc(C)cc2)c(C(F)(F)F)c1.
What is the InChIKey of N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-4-methylbenzamide?
The InChIKey is KFUDDHDDMFAYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO2/c1-11-3-5-12(6-4-11)16(22)21-10-13-7-8-14(23-2)9-15(13)17(18,19)20/h3-9H,10H2,1-2H3,(H,21,22).
What are the key properties of N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-4-methylbenzamide?
N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-4-methylbenzamide has a molecular weight of 323.31 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-4-methylbenzamide is sourced from PubChem (CID 163867885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).