2-[3-(4-acetylphenyl)phenyl]-N'-[2-[3-fluoro-5-(trifluoromethyl)phenyl]propanoyl]-N'-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanehydrazide

C52H44F4N4O4 — CID 67308259

IUPAC2-[3-(4-acetylphenyl)phenyl]-N'-[2-[3-fluoro-5-(trifluoromethyl)phenyl]propanoyl]-N'-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanehydrazide
SMILESCOc1cc(N(C(=O)C(C)c2cc(F)cc(C(F)(F)F)c2)N(C(=O)C(C)c2cccc(-c3ccc(C(C)=O)cc3)c2)c2ccc(-c3ccnc(C)c3)cc2)ccc1-c1ccnc(C)c1
InChIInChI=1S/C52H44F4N4O4/c1-31-24-41(20-22-57-31)38-14-16-46(17-15-38)59(50(62)33(3)39-8-7-9-40(26-39)37-12-10-36(11-13-37)35(5)61)60(51(63)34(4)43-27-44(52(54,55)56)29-45(53)28-43)47-18-19-48(49(30-47)64-6)42-21-23-58-32(2)25-42/h7-30,33-34H,1-6H3
InChIKeyNOBQNLMEBREHSQ-UHFFFAOYSA-N
MW864.94 g/mol
LogP12.35
Rot. Bonds11

About 2-[3-(4-acetylphenyl)phenyl]-N'-[2-[3-fluoro-5-(trifluoromethyl)phenyl]propanoyl]-N'-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanehydrazide

2-[3-(4-acetylphenyl)phenyl]-N'-[2-[3-fluoro-5-(trifluoromethyl)phenyl]propanoyl]-N'-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanehydrazide (PubChem CID 67308259) has the molecular formula C52H44F4N4O4 and a molecular weight of 864.94 g/mol. Its IUPAC name is 2-[3-(4-acetylphenyl)phenyl]-N'-[2-[3-fluoro-5-(trifluoromethyl)phenyl]propanoyl]-N'-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanehydrazide.

Molecular Properties

Compound Name2-[3-(4-acetylphenyl)phenyl]-N'-[2-[3-fluoro-5-(trifluoromethyl)phenyl]propanoyl]-N'-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanehydrazide
PubChem CID67308259
Molecular FormulaC52H44F4N4O4
Molecular Weight864.94 g/mol
Exact Mass864.33
IUPAC Name2-[3-(4-acetylphenyl)phenyl]-N'-[2-[3-fluoro-5-(trifluoromethyl)phenyl]propanoyl]-N'-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanehydrazide
SMILESCOc1cc(N(C(=O)C(C)c2cc(F)cc(C(F)(F)F)c2)N(C(=O)C(C)c2cccc(-c3ccc(C(C)=O)cc3)c2)c2ccc(-c3ccnc(C)c3)cc2)ccc1-c1ccnc(C)c1
InChIInChI=1S/C52H44F4N4O4/c1-31-24-41(20-22-57-31)38-14-16-46(17-15-38)59(50(62)33(3)39-8-7-9-40(26-39)37-12-10-36(11-13-37)35(5)61)60(51(63)34(4)43-27-44(52(54,55)56)29-45(53)28-43)47-18-19-48(49(30-47)64-6)42-21-23-58-32(2)25-42/h7-30,33-34H,1-6H3
InChIKeyNOBQNLMEBREHSQ-UHFFFAOYSA-N
XLogP12.35
TPSA92.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500864.94
LogP ≤ 512.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-acetylphenyl)phenyl]-N'-[2-[3-fluoro-5-(trifluoromethyl)phenyl]propanoyl]-N'-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanehydrazide?
The IUPAC name of 2-[3-(4-acetylphenyl)phenyl]-N'-[2-[3-fluoro-5-(trifluoromethyl)phenyl]propanoyl]-N'-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanehydrazide (CID 67308259) is 2-[3-(4-acetylphenyl)phenyl]-N'-[2-[3-fluoro-5-(trifluoromethyl)phenyl]propanoyl]-N'-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanehydrazide.
What is the SMILES notation for 2-[3-(4-acetylphenyl)phenyl]-N'-[2-[3-fluoro-5-(trifluoromethyl)phenyl]propanoyl]-N'-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanehydrazide?
The canonical SMILES for 2-[3-(4-acetylphenyl)phenyl]-N'-[2-[3-fluoro-5-(trifluoromethyl)phenyl]propanoyl]-N'-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanehydrazide is COc1cc(N(C(=O)C(C)c2cc(F)cc(C(F)(F)F)c2)N(C(=O)C(C)c2cccc(-c3ccc(C(C)=O)cc3)c2)c2ccc(-c3ccnc(C)c3)cc2)ccc1-c1ccnc(C)c1.
What is the InChIKey of 2-[3-(4-acetylphenyl)phenyl]-N'-[2-[3-fluoro-5-(trifluoromethyl)phenyl]propanoyl]-N'-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanehydrazide?
The InChIKey is NOBQNLMEBREHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H44F4N4O4/c1-31-24-41(20-22-57-31)38-14-16-46(17-15-38)59(50(62)33(3)39-8-7-9-40(26-39)37-12-10-36(11-13-37)35(5)61)60(51(63)34(4)43-27-44(52(54,55)56)29-45(53)28-43)47-18-19-48(49(30-47)64-6)42-21-23-58-32(2)25-42/h7-30,33-34H,1-6H3.
What are the key properties of 2-[3-(4-acetylphenyl)phenyl]-N'-[2-[3-fluoro-5-(trifluoromethyl)phenyl]propanoyl]-N'-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanehydrazide?
2-[3-(4-acetylphenyl)phenyl]-N'-[2-[3-fluoro-5-(trifluoromethyl)phenyl]propanoyl]-N'-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanehydrazide has a molecular weight of 864.94 g/mol, XLogP of 12.35, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-acetylphenyl)phenyl]-N'-[2-[3-fluoro-5-(trifluoromethyl)phenyl]propanoyl]-N'-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanehydrazide is sourced from PubChem (CID 67308259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).