LDNHDDCIQFWMLQ-UHFFFAOYSA-N

C₆₅H₅₄F₆N₄O₇ — CID 159319090

About LDNHDDCIQFWMLQ-UHFFFAOYSA-N

LDNHDDCIQFWMLQ-UHFFFAOYSA-N (PubChem CID 159319090) has the molecular formula C₆₅H₅₄F₆N₄O₇ and a molecular weight of 1117.16 g/mol. Its IUPAC name is 2-[3-[4-(acetamidomethyl)phenyl]phenyl]-N-hydroxy-2-phenylacetamide;N-hydroxy-2-phenyl-2-[3-[3-(trifluoromethyl)phenyl]phenyl]acetamide;N-hydroxy-2-phenyl-2-[3-[4-(trifluoromethyl)phenyl]phenyl]acetamide.

Molecular Properties

• Compound Name: LDNHDDCIQFWMLQ-UHFFFAOYSA-N
• PubChem CID: 159319090
• Molecular Formula: C₆₅H₅₄F₆N₄O₇
• Molecular Weight: 1117.16 g/mol
• Exact Mass: 1116.39
• IUPAC Name: 2-[3-[4-(acetamidomethyl)phenyl]phenyl]-N-hydroxy-2-phenylacetamide;N-hydroxy-2-phenyl-2-[3-[3-(trifluoromethyl)phenyl]phenyl]acetamide;N-hydroxy-2-phenyl-2-[3-[4-(trifluoromethyl)phenyl]phenyl]acetamide
• SMILES: CC(=O)NCc1ccc(-c2cccc(C(C(=O)NO)c3ccccc3)c2)cc1.O=C(NO)C(c1ccccc1)c1cccc(-c2ccc(C(F)(F)F)cc2)c1.O=C(NO)C(c1ccccc1)c1cccc(-c2cccc(C(F)(F)F)c2)c1
• InChI: InChI=1S/C23H22N2O3.2C21H16F3NO2/c1-16(26)24-15-17-10-12-18(13-11-17)20-8-5-9-21(14-20)22(23(27)25-28)19-6-3-2-4-7-19;22-21(23,24)18-11-5-9-16(13-18)15-8-4-10-17(12-15)19(20(26)25-27)14-6-2-1-3-7-14;22-21(23,24)18-11-9-14(10-12-18)16-7-4-8-17(13-16)19(20(26)25-27)15-5-2-1-3-6-15/h2-14,22,28H,15H2,1H3,(H,24,26)(H,25,27);2*1-13,19,27H,(H,25,26)
• InChIKey: LDNHDDCIQFWMLQ-UHFFFAOYSA-N
• XLogP: 13.65
• TPSA: 177.09 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1117.16
LogP ≤ 5	13.65
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of LDNHDDCIQFWMLQ-UHFFFAOYSA-N?

The IUPAC name of LDNHDDCIQFWMLQ-UHFFFAOYSA-N (CID 159319090) is 2-[3-[4-(acetamidomethyl)phenyl]phenyl]-N-hydroxy-2-phenylacetamide;N-hydroxy-2-phenyl-2-[3-[3-(trifluoromethyl)phenyl]phenyl]acetamide;N-hydroxy-2-phenyl-2-[3-[4-(trifluoromethyl)phenyl]phenyl]acetamide.

What is the SMILES notation for LDNHDDCIQFWMLQ-UHFFFAOYSA-N?

The canonical SMILES for LDNHDDCIQFWMLQ-UHFFFAOYSA-N is CC(=O)NCc1ccc(-c2cccc(C(C(=O)NO)c3ccccc3)c2)cc1.O=C(NO)C(c1ccccc1)c1cccc(-c2ccc(C(F)(F)F)cc2)c1.O=C(NO)C(c1ccccc1)c1cccc(-c2cccc(C(F)(F)F)c2)c1.

What is the InChIKey of LDNHDDCIQFWMLQ-UHFFFAOYSA-N?

The InChIKey is LDNHDDCIQFWMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3.2C21H16F3NO2/c1-16(26)24-15-17-10-12-18(13-11-17)20-8-5-9-21(14-20)22(23(27)25-28)19-6-3-2-4-7-19;22-21(23,24)18-11-5-9-16(13-18)15-8-4-10-17(12-15)19(20(26)25-27)14-6-2-1-3-7-14;22-21(23,24)18-11-9-14(10-12-18)16-7-4-8-17(13-16)19(20(26)25-27)15-5-2-1-3-6-15/h2-14,22,28H,15H2,1H3,(H,24,26)(H,25,27);2*1-13,19,27H,(H,25,26).

What are the key properties of LDNHDDCIQFWMLQ-UHFFFAOYSA-N?

LDNHDDCIQFWMLQ-UHFFFAOYSA-N has a molecular weight of 1117.16 g/mol, XLogP of 13.65, 14 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for LDNHDDCIQFWMLQ-UHFFFAOYSA-N is sourced from PubChem (CID 159319090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159319090 — identifiers, structure, computed properties (public domain)

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