3-amino-N-[6-(2-fluorophenyl)-3-pyridinyl]-4-(trifluoromethoxy)benzamide

C19H13F4N3O2 — CID 90459684

IUPAC3-amino-N-[6-(2-fluorophenyl)-3-pyridinyl]-4-(trifluoromethoxy)benzamide
SMILESNc1cc(C(=O)Nc2ccc(-c3ccccc3F)nc2)ccc1OC(F)(F)F
InChIInChI=1S/C19H13F4N3O2/c20-14-4-2-1-3-13(14)16-7-6-12(10-25-16)26-18(27)11-5-8-17(15(24)9-11)28-19(21,22)23/h1-10H,24H2,(H,26,27)
InChIKeyYHDSMTMBDLZUIS-UHFFFAOYSA-N
MW391.32 g/mol
LogP4.62
Rot. Bonds4

About 3-amino-N-[6-(2-fluorophenyl)-3-pyridinyl]-4-(trifluoromethoxy)benzamide

3-amino-N-[6-(2-fluorophenyl)-3-pyridinyl]-4-(trifluoromethoxy)benzamide (PubChem CID 90459684) has the molecular formula C19H13F4N3O2 and a molecular weight of 391.32 g/mol. Its IUPAC name is 3-amino-N-[6-(2-fluorophenyl)-3-pyridinyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound Name3-amino-N-[6-(2-fluorophenyl)-3-pyridinyl]-4-(trifluoromethoxy)benzamide
PubChem CID90459684
Molecular FormulaC19H13F4N3O2
Molecular Weight391.32 g/mol
Exact Mass391.09
IUPAC Name3-amino-N-[6-(2-fluorophenyl)-3-pyridinyl]-4-(trifluoromethoxy)benzamide
SMILESNc1cc(C(=O)Nc2ccc(-c3ccccc3F)nc2)ccc1OC(F)(F)F
InChIInChI=1S/C19H13F4N3O2/c20-14-4-2-1-3-13(14)16-7-6-12(10-25-16)26-18(27)11-5-8-17(15(24)9-11)28-19(21,22)23/h1-10H,24H2,(H,26,27)
InChIKeyYHDSMTMBDLZUIS-UHFFFAOYSA-N
XLogP4.62
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.32
LogP ≤ 54.62
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

1-N-[6-(2-fluorophenyl)-3-pyridinyl]-3-N-pyridin-4-yl-4-(trifluoromethoxy)benzene-1,3-dicarboxamide
CID 122480415
N-[3-amino-4-(trifluoromethoxy)phenyl]-6-phenylpyridine-3-carboxamide
CID 90459921
3-[amino-[1-(4-methylpiperazin-1-yl)cyclopropanecarbonyl]amino]-N-[6-(2-fluorophenyl)-3-pyridinyl]-4-(trifluoromethoxy)benzamide
CID 174773589
3-amino-N-(5-phenylpyrimidin-2-yl)-4-(trifluoromethoxy)benzamide
CID 118385340
N-[6-(2-fluorophenyl)-3-pyridinyl]-3-[[2-[5-methyl-3-(methylamino)azepan-1-yl]acetyl]amino]-4-(trifluoromethoxy)benzamide
CID 129274759
3-amino-N-methyl-4-(trifluoromethoxy)benzamide
CID 116628466
1-N-[6-(2-fluorophenyl)-3-pyridinyl]-2-nitrobenzene-1,4-dicarboxamide
CID 122513686
N-[6-[5-[(3,4-dihydroxybenzoyl)amino]-2-pyridinyl]-3-pyridinyl]-3,4-dihydroxybenzamide
CID 136814357
6-(2-fluorophenyl)-N-(4-propylphenyl)pyridine-3-carboxamide
CID 58639533
[2-[[6-(2-fluorophenyl)-3-pyridinyl]amino]acetyl] 2,2,2-trifluoroacetate
CID 87489334
3-amino-N-(5-pyrimidin-5-yl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethoxy)benzamide
CID 118385774
[3-amino-4-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone
CID 118802654

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[6-(2-fluorophenyl)-3-pyridinyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of 3-amino-N-[6-(2-fluorophenyl)-3-pyridinyl]-4-(trifluoromethoxy)benzamide (CID 90459684) is 3-amino-N-[6-(2-fluorophenyl)-3-pyridinyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for 3-amino-N-[6-(2-fluorophenyl)-3-pyridinyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for 3-amino-N-[6-(2-fluorophenyl)-3-pyridinyl]-4-(trifluoromethoxy)benzamide is Nc1cc(C(=O)Nc2ccc(-c3ccccc3F)nc2)ccc1OC(F)(F)F.
What is the InChIKey of 3-amino-N-[6-(2-fluorophenyl)-3-pyridinyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is YHDSMTMBDLZUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F4N3O2/c20-14-4-2-1-3-13(14)16-7-6-12(10-25-16)26-18(27)11-5-8-17(15(24)9-11)28-19(21,22)23/h1-10H,24H2,(H,26,27).
What are the key properties of 3-amino-N-[6-(2-fluorophenyl)-3-pyridinyl]-4-(trifluoromethoxy)benzamide?
3-amino-N-[6-(2-fluorophenyl)-3-pyridinyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 391.32 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[6-(2-fluorophenyl)-3-pyridinyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 90459684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).