3-amino-2-(pyridin-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide

C20H16F3N3O2 — CID 174385427

IUPAC3-amino-2-(pyridin-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESNc1cccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1Cc1ccncc1
InChIInChI=1S/C20H16F3N3O2/c21-20(22,23)28-15-6-4-14(5-7-15)26-19(27)16-2-1-3-18(24)17(16)12-13-8-10-25-11-9-13/h1-11H,12,24H2,(H,26,27)
InChIKeyMCYIVOCTRNUQNW-UHFFFAOYSA-N
MW387.36 g/mol
LogP4.41
Rot. Bonds5

About 3-amino-2-(pyridin-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide

3-amino-2-(pyridin-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide (PubChem CID 174385427) has the molecular formula C20H16F3N3O2 and a molecular weight of 387.36 g/mol. Its IUPAC name is 3-amino-2-(pyridin-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-amino-2-(pyridin-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide
PubChem CID174385427
Molecular FormulaC20H16F3N3O2
Molecular Weight387.36 g/mol
Exact Mass387.12
IUPAC Name3-amino-2-(pyridin-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESNc1cccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1Cc1ccncc1
InChIInChI=1S/C20H16F3N3O2/c21-20(22,23)28-15-6-4-14(5-7-15)26-19(27)16-2-1-3-18(24)17(16)12-13-8-10-25-11-9-13/h1-11H,12,24H2,(H,26,27)
InChIKeyMCYIVOCTRNUQNW-UHFFFAOYSA-N
XLogP4.41
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(3-benzoylphenyl)-2-(pyridin-4-ylmethyl)benzamide
CID 174385428
3-amino-N-(3-cyanophenyl)-2-(pyridin-4-ylmethyl)benzamide
CID 174384662
2-amino-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 62060327
N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 2711308
1-N,2-N,3-N-tris[4-(trifluoromethoxy)phenyl]benzene-1,2,3-tricarboxamide
CID 142144730
6-amino-N-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
CID 62239251
2-oxo-N-pyridin-4-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
CID 70804901
2-amino-4-fluoro-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 118582181
ethyl 2-[3-[[4-(trifluoromethoxy)phenyl]carbamoyl]-2-pyridinyl]acetate
CID 1490625
2-amino-N-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzamide
CID 90317246
2-amino-4-bromo-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 90317223
2-amino-N-pyridin-4-ylbenzamide
CID 5080262

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(pyridin-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 3-amino-2-(pyridin-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide (CID 174385427) is 3-amino-2-(pyridin-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 3-amino-2-(pyridin-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 3-amino-2-(pyridin-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide is Nc1cccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1Cc1ccncc1.
What is the InChIKey of 3-amino-2-(pyridin-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is MCYIVOCTRNUQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2/c21-20(22,23)28-15-6-4-14(5-7-15)26-19(27)16-2-1-3-18(24)17(16)12-13-8-10-25-11-9-13/h1-11H,12,24H2,(H,26,27).
What are the key properties of 3-amino-2-(pyridin-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide?
3-amino-2-(pyridin-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 387.36 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(pyridin-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 174385427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).