N-[(2-phenylmethoxy-4-pyridinyl)methyl]-4-(trifluoromethoxy)benzamide

C21H17F3N2O3 — CID 46475730

IUPACN-[(2-phenylmethoxy-4-pyridinyl)methyl]-4-(trifluoromethoxy)benzamide
SMILESO=C(NCc1ccnc(OCc2ccccc2)c1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C21H17F3N2O3/c22-21(23,24)29-18-8-6-17(7-9-18)20(27)26-13-16-10-11-25-19(12-16)28-14-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,26,27)
InChIKeyAIVFVMFZEQDLQB-UHFFFAOYSA-N
MW402.37 g/mol
LogP4.49
Rot. Bonds7

About N-[(2-phenylmethoxy-4-pyridinyl)methyl]-4-(trifluoromethoxy)benzamide

N-[(2-phenylmethoxy-4-pyridinyl)methyl]-4-(trifluoromethoxy)benzamide (PubChem CID 46475730) has the molecular formula C21H17F3N2O3 and a molecular weight of 402.37 g/mol. Its IUPAC name is N-[(2-phenylmethoxy-4-pyridinyl)methyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[(2-phenylmethoxy-4-pyridinyl)methyl]-4-(trifluoromethoxy)benzamide
PubChem CID46475730
Molecular FormulaC21H17F3N2O3
Molecular Weight402.37 g/mol
Exact Mass402.12
IUPAC NameN-[(2-phenylmethoxy-4-pyridinyl)methyl]-4-(trifluoromethoxy)benzamide
SMILESO=C(NCc1ccnc(OCc2ccccc2)c1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C21H17F3N2O3/c22-21(23,24)29-18-8-6-17(7-9-18)20(27)26-13-16-10-11-25-19(12-16)28-14-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,26,27)
InChIKeyAIVFVMFZEQDLQB-UHFFFAOYSA-N
XLogP4.49
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.37
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-phenylmethoxy-4-pyridinyl)methyl]-4-(trifluoromethoxy)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

N-[(2-phenylmethoxy-4-pyridinyl)methyl]-4-(trifluoromethyl)benzamide
CID 46469686
N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
CID 46466541
N-[(2-phenylmethoxy-4-pyridinyl)methyl]furan-3-carboxamide
CID 46475605
2-iodo-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
CID 46469673
4-(cyclopropylsulfamoyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
CID 46475804
3-methyl-4-nitro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
CID 55707101
N-[(2-phenylmethoxy-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
CID 47057026
benzyl 2-[[4-(trifluoromethoxy)benzoyl]amino]acetate
CID 27898594
2-(4-chlorophenyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide
CID 55707148
N-[[2-(hydroxymethyl)phenyl]methyl]-2-phenylmethoxypyridine-4-carboxamide
CID 110908784
2-(3-methoxyphenyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide
CID 55707019
N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyridine-4-carboxamide
CID 39503685

Frequently Asked Questions

What is the IUPAC name of N-[(2-phenylmethoxy-4-pyridinyl)methyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[(2-phenylmethoxy-4-pyridinyl)methyl]-4-(trifluoromethoxy)benzamide (CID 46475730) is N-[(2-phenylmethoxy-4-pyridinyl)methyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[(2-phenylmethoxy-4-pyridinyl)methyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[(2-phenylmethoxy-4-pyridinyl)methyl]-4-(trifluoromethoxy)benzamide is O=C(NCc1ccnc(OCc2ccccc2)c1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[(2-phenylmethoxy-4-pyridinyl)methyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is AIVFVMFZEQDLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O3/c22-21(23,24)29-18-8-6-17(7-9-18)20(27)26-13-16-10-11-25-19(12-16)28-14-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,26,27).
What are the key properties of N-[(2-phenylmethoxy-4-pyridinyl)methyl]-4-(trifluoromethoxy)benzamide?
N-[(2-phenylmethoxy-4-pyridinyl)methyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 402.37 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenylmethoxy-4-pyridinyl)methyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 46475730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).