4-fluoro-N-[1-hydroxy-1-naphthalen-1-yl-3-[4-(trifluoromethyl)phenyl]propan-2-yl]naphthalene-1-carboxamide

C31H23F4NO2 — CID 22261498

About 4-fluoro-N-[1-hydroxy-1-naphthalen-1-yl-3-[4-(trifluoromethyl)phenyl]propan-2-yl]naphthalene-1-carboxamide

4-fluoro-N-[1-hydroxy-1-naphthalen-1-yl-3-[4-(trifluoromethyl)phenyl]propan-2-yl]naphthalene-1-carboxamide (PubChem CID 22261498) has the molecular formula C31H23F4NO2 and a molecular weight of 517.52 g/mol. Its IUPAC name is 4-fluoro-N-[1-hydroxy-1-naphthalen-1-yl-3-[4-(trifluoromethyl)phenyl]propan-2-yl]naphthalene-1-carboxamide.

Molecular Properties

• Compound Name: 4-fluoro-N-[1-hydroxy-1-naphthalen-1-yl-3-[4-(trifluoromethyl)phenyl]propan-2-yl]naphthalene-1-carboxamide
• PubChem CID: 22261498
• Molecular Formula: C31H23F4NO2
• Molecular Weight: 517.52 g/mol
• Exact Mass: 517.17
• IUPAC Name: 4-fluoro-N-[1-hydroxy-1-naphthalen-1-yl-3-[4-(trifluoromethyl)phenyl]propan-2-yl]naphthalene-1-carboxamide
• SMILES: O=C(NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1cccc2ccccc12)c1ccc(F)c2ccccc12
• InChI: InChI=1S/C31H23F4NO2/c32-27-17-16-26(23-9-3-4-10-24(23)27)30(38)36-28(18-19-12-14-21(15-13-19)31(33,34)35)29(37)25-11-5-7-20-6-1-2-8-22(20)25/h1-17,28-29,37H,18H2,(H,36,38)
• InChIKey: CMVZDCRPUDWXIS-UHFFFAOYSA-N
• XLogP: 7.23
• TPSA: 49.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	517.52
LogP ≤ 5	7.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-hydroxy-1-naphthalen-1-yl-3-[4-(trifluoromethyl)phenyl]propan-2-yl]naphthalene-1-carboxamide?

The IUPAC name of 4-fluoro-N-[1-hydroxy-1-naphthalen-1-yl-3-[4-(trifluoromethyl)phenyl]propan-2-yl]naphthalene-1-carboxamide (CID 22261498) is 4-fluoro-N-[1-hydroxy-1-naphthalen-1-yl-3-[4-(trifluoromethyl)phenyl]propan-2-yl]naphthalene-1-carboxamide.

What is the SMILES notation for 4-fluoro-N-[1-hydroxy-1-naphthalen-1-yl-3-[4-(trifluoromethyl)phenyl]propan-2-yl]naphthalene-1-carboxamide?

The canonical SMILES for 4-fluoro-N-[1-hydroxy-1-naphthalen-1-yl-3-[4-(trifluoromethyl)phenyl]propan-2-yl]naphthalene-1-carboxamide is O=C(NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1cccc2ccccc12)c1ccc(F)c2ccccc12.

What is the InChIKey of 4-fluoro-N-[1-hydroxy-1-naphthalen-1-yl-3-[4-(trifluoromethyl)phenyl]propan-2-yl]naphthalene-1-carboxamide?

The InChIKey is CMVZDCRPUDWXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23F4NO2/c32-27-17-16-26(23-9-3-4-10-24(23)27)30(38)36-28(18-19-12-14-21(15-13-19)31(33,34)35)29(37)25-11-5-7-20-6-1-2-8-22(20)25/h1-17,28-29,37H,18H2,(H,36,38).

What are the key properties of 4-fluoro-N-[1-hydroxy-1-naphthalen-1-yl-3-[4-(trifluoromethyl)phenyl]propan-2-yl]naphthalene-1-carboxamide?

4-fluoro-N-[1-hydroxy-1-naphthalen-1-yl-3-[4-(trifluoromethyl)phenyl]propan-2-yl]naphthalene-1-carboxamide has a molecular weight of 517.52 g/mol, XLogP of 7.23, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-N-[1-hydroxy-1-naphthalen-1-yl-3-[4-(trifluoromethyl)phenyl]propan-2-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 22261498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).