N-cyclohexyl-2-(3-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-(4-hydroxyphenyl)acetamide

C29H28F2N6O3 — CID 3180672

About N-cyclohexyl-2-(3-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-(4-hydroxyphenyl)acetamide

N-cyclohexyl-2-(3-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-(4-hydroxyphenyl)acetamide (PubChem CID 3180672) has the molecular formula C29H28F2N6O3 and a molecular weight of 546.58 g/mol. Its IUPAC name is N-cyclohexyl-2-(3-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-(4-hydroxyphenyl)acetamide.

Molecular Properties

• Compound Name: N-cyclohexyl-2-(3-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-(4-hydroxyphenyl)acetamide
• PubChem CID: 3180672
• Molecular Formula: C29H28F2N6O3
• Molecular Weight: 546.58 g/mol
• Exact Mass: 546.22
• IUPAC Name: N-cyclohexyl-2-(3-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-(4-hydroxyphenyl)acetamide
• SMILES: O=C(NC1CCCCC1)C(c1ccc(O)cc1)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1cccc(F)c1
• InChI: InChI=1S/C29H28F2N6O3/c30-21-13-9-20(10-14-21)28-33-35-36(34-28)18-26(39)37(24-8-4-5-22(31)17-24)27(19-11-15-25(38)16-12-19)29(40)32-23-6-2-1-3-7-23/h4-5,8-17,23,27,38H,1-3,6-7,18H2,(H,32,40)
• InChIKey: NZEUVYOUZDZRPI-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 113.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	546.58
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-(4-hydroxyphenyl)acetamide?

The IUPAC name of N-cyclohexyl-2-(3-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-(4-hydroxyphenyl)acetamide (CID 3180672) is N-cyclohexyl-2-(3-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-(4-hydroxyphenyl)acetamide.

What is the SMILES notation for N-cyclohexyl-2-(3-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-(4-hydroxyphenyl)acetamide?

The canonical SMILES for N-cyclohexyl-2-(3-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-(4-hydroxyphenyl)acetamide is O=C(NC1CCCCC1)C(c1ccc(O)cc1)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1cccc(F)c1.

What is the InChIKey of N-cyclohexyl-2-(3-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-(4-hydroxyphenyl)acetamide?

The InChIKey is NZEUVYOUZDZRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28F2N6O3/c30-21-13-9-20(10-14-21)28-33-35-36(34-28)18-26(39)37(24-8-4-5-22(31)17-24)27(19-11-15-25(38)16-12-19)29(40)32-23-6-2-1-3-7-23/h4-5,8-17,23,27,38H,1-3,6-7,18H2,(H,32,40).

What are the key properties of N-cyclohexyl-2-(3-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-(4-hydroxyphenyl)acetamide?

N-cyclohexyl-2-(3-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-(4-hydroxyphenyl)acetamide has a molecular weight of 546.58 g/mol, XLogP of 4.55, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-2-(3-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 3180672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).