N-formyl-2-methyl-N-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]benzamide

C22H17F3N2O3 — CID 143155098

IUPACN-formyl-2-methyl-N-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]benzamide
SMILESCc1ccccc1C(=O)N(C=O)Cc1ccc(-c2ccccc2OC(F)(F)F)cn1
InChIInChI=1S/C22H17F3N2O3/c1-15-6-2-3-7-18(15)21(29)27(14-28)13-17-11-10-16(12-26-17)19-8-4-5-9-20(19)30-22(23,24)25/h2-12,14H,13H2,1H3
InChIKeyKNDRJWKSGKXUTD-UHFFFAOYSA-N
MW414.38 g/mol
LogP4.75
Rot. Bonds6

About N-formyl-2-methyl-N-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]benzamide

N-formyl-2-methyl-N-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]benzamide (PubChem CID 143155098) has the molecular formula C22H17F3N2O3 and a molecular weight of 414.38 g/mol. Its IUPAC name is N-formyl-2-methyl-N-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]benzamide.

Molecular Properties

Compound NameN-formyl-2-methyl-N-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]benzamide
PubChem CID143155098
Molecular FormulaC22H17F3N2O3
Molecular Weight414.38 g/mol
Exact Mass414.12
IUPAC NameN-formyl-2-methyl-N-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]benzamide
SMILESCc1ccccc1C(=O)N(C=O)Cc1ccc(-c2ccccc2OC(F)(F)F)cn1
InChIInChI=1S/C22H17F3N2O3/c1-15-6-2-3-7-18(15)21(29)27(14-28)13-17-11-10-16(12-26-17)19-8-4-5-9-20(19)30-22(23,24)25/h2-12,14H,13H2,1H3
InChIKeyKNDRJWKSGKXUTD-UHFFFAOYSA-N
XLogP4.75
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.38
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-formyl-2-methyl-N-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-dimethyl-4-[2-(trifluoromethoxy)phenyl]benzaldehyde
CID 172876941
2-methoxy-5-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
CID 134620786
2-methyl-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 17395074
1-[2-[2-(trifluoromethoxy)phenyl]phenyl]ethanone
CID 16768650
3-fluoro-5-[2-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde
CID 131871409
5-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide
CID 11291743
N-formyl-2-methyl-N-pentylbenzamide
CID 142115251
[2-methyl-5-[2-(trifluoromethoxy)phenyl]phenyl]methanamine
CID 155804267
[3,5-bis[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methanol
CID 134623328
ethyl 2-hydroxy-4-[2-(trifluoromethoxy)phenyl]benzoate
CID 134633108
ethyl 2-hydroxy-5-[2-(trifluoromethoxy)phenyl]benzoate
CID 134633451
N,N-dimethyl-2-(trifluoromethoxy)benzamide
CID 133060382

Frequently Asked Questions

What is the IUPAC name of N-formyl-2-methyl-N-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]benzamide?
The IUPAC name of N-formyl-2-methyl-N-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]benzamide (CID 143155098) is N-formyl-2-methyl-N-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]benzamide.
What is the SMILES notation for N-formyl-2-methyl-N-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]benzamide?
The canonical SMILES for N-formyl-2-methyl-N-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]benzamide is Cc1ccccc1C(=O)N(C=O)Cc1ccc(-c2ccccc2OC(F)(F)F)cn1.
What is the InChIKey of N-formyl-2-methyl-N-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]benzamide?
The InChIKey is KNDRJWKSGKXUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2O3/c1-15-6-2-3-7-18(15)21(29)27(14-28)13-17-11-10-16(12-26-17)19-8-4-5-9-20(19)30-22(23,24)25/h2-12,14H,13H2,1H3.
What are the key properties of N-formyl-2-methyl-N-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]benzamide?
N-formyl-2-methyl-N-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]benzamide has a molecular weight of 414.38 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-formyl-2-methyl-N-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]benzamide is sourced from PubChem (CID 143155098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).