N-[2-fluoro-3-(2H-tetrazol-5-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

C24H14F8N6O — CID 161322658

About N-[2-fluoro-3-(2H-tetrazol-5-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

N-[2-fluoro-3-(2H-tetrazol-5-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 161322658) has the molecular formula C24H14F8N6O and a molecular weight of 554.40 g/mol. Its IUPAC name is N-[2-fluoro-3-(2H-tetrazol-5-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: N-[2-fluoro-3-(2H-tetrazol-5-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
• PubChem CID: 161322658
• Molecular Formula: C24H14F8N6O
• Molecular Weight: 554.40 g/mol
• Exact Mass: 554.11
• IUPAC Name: N-[2-fluoro-3-(2H-tetrazol-5-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
• SMILES: O=C(Nc1ccc(-c2ccc(C(F)(F)F)nc2)c(-c2nn[nH]n2)c1F)C1(c2ccc(C(F)(F)F)cc2F)CC1
• InChI: InChI=1S/C24H14F8N6O/c25-15-9-12(23(27,28)29)2-4-14(15)22(7-8-22)21(39)34-16-5-3-13(18(19(16)26)20-35-37-38-36-20)11-1-6-17(33-10-11)24(30,31)32/h1-6,9-10H,7-8H2,(H,34,39)(H,35,36,37,38)
• InChIKey: VKISLHHTEPYJQC-UHFFFAOYSA-N
• XLogP: 5.91
• TPSA: 96.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	554.40
LogP ≤ 5	5.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-(2H-tetrazol-5-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?

The IUPAC name of N-[2-fluoro-3-(2H-tetrazol-5-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 161322658) is N-[2-fluoro-3-(2H-tetrazol-5-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

What is the SMILES notation for N-[2-fluoro-3-(2H-tetrazol-5-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?

The canonical SMILES for N-[2-fluoro-3-(2H-tetrazol-5-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is O=C(Nc1ccc(-c2ccc(C(F)(F)F)nc2)c(-c2nn[nH]n2)c1F)C1(c2ccc(C(F)(F)F)cc2F)CC1.

What is the InChIKey of N-[2-fluoro-3-(2H-tetrazol-5-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?

The InChIKey is VKISLHHTEPYJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F8N6O/c25-15-9-12(23(27,28)29)2-4-14(15)22(7-8-22)21(39)34-16-5-3-13(18(19(16)26)20-35-37-38-36-20)11-1-6-17(33-10-11)24(30,31)32/h1-6,9-10H,7-8H2,(H,34,39)(H,35,36,37,38).

What are the key properties of N-[2-fluoro-3-(2H-tetrazol-5-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?

N-[2-fluoro-3-(2H-tetrazol-5-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 554.40 g/mol, XLogP of 5.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-fluoro-3-(2H-tetrazol-5-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 161322658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).