N-(5-formyl-2-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]formamide

C17H14F3NO3 — CID 139985276

IUPACN-(5-formyl-2-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]formamide
SMILESCOc1ccc(C=O)cc1N(C=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H14F3NO3/c1-24-16-7-4-13(10-22)8-15(16)21(11-23)9-12-2-5-14(6-3-12)17(18,19)20/h2-8,10-11H,9H2,1H3
InChIKeyQRKIUOJKLVIOLW-UHFFFAOYSA-N
MW337.30 g/mol
LogP3.69
Rot. Bonds6

About N-(5-formyl-2-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]formamide

N-(5-formyl-2-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]formamide (PubChem CID 139985276) has the molecular formula C17H14F3NO3 and a molecular weight of 337.30 g/mol. Its IUPAC name is N-(5-formyl-2-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]formamide.

Molecular Properties

Compound NameN-(5-formyl-2-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]formamide
PubChem CID139985276
Molecular FormulaC17H14F3NO3
Molecular Weight337.30 g/mol
Exact Mass337.09
IUPAC NameN-(5-formyl-2-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]formamide
SMILESCOc1ccc(C=O)cc1N(C=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H14F3NO3/c1-24-16-7-4-13(10-22)8-15(16)21(11-23)9-12-2-5-14(6-3-12)17(18,19)20/h2-8,10-11H,9H2,1H3
InChIKeyQRKIUOJKLVIOLW-UHFFFAOYSA-N
XLogP3.69
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-formyl-2-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]formamide?
The IUPAC name of N-(5-formyl-2-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]formamide (CID 139985276) is N-(5-formyl-2-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]formamide.
What is the SMILES notation for N-(5-formyl-2-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]formamide?
The canonical SMILES for N-(5-formyl-2-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]formamide is COc1ccc(C=O)cc1N(C=O)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(5-formyl-2-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]formamide?
The InChIKey is QRKIUOJKLVIOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO3/c1-24-16-7-4-13(10-22)8-15(16)21(11-23)9-12-2-5-14(6-3-12)17(18,19)20/h2-8,10-11H,9H2,1H3.
What are the key properties of N-(5-formyl-2-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]formamide?
N-(5-formyl-2-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]formamide has a molecular weight of 337.30 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-formyl-2-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]formamide is sourced from PubChem (CID 139985276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).