4-[3-[3,5-bis(4-fluorophenyl)-1H-pyrrol-2-yl]-3-oxopropyl]-N-hydroxybenzamide

C26H20F2N2O3 — CID 148621746

IUPAC4-[3-[3,5-bis(4-fluorophenyl)-1H-pyrrol-2-yl]-3-oxopropyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CCC(=O)c2[nH]c(-c3ccc(F)cc3)cc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C26H20F2N2O3/c27-20-10-6-17(7-11-20)22-15-23(18-8-12-21(28)13-9-18)29-25(22)24(31)14-3-16-1-4-19(5-2-16)26(32)30-33/h1-2,4-13,15,29,33H,3,14H2,(H,30,32)
InChIKeyNGKCXJUSIYRAFH-UHFFFAOYSA-N
MW446.45 g/mol
LogP5.56
Rot. Bonds7

About 4-[3-[3,5-bis(4-fluorophenyl)-1H-pyrrol-2-yl]-3-oxopropyl]-N-hydroxybenzamide

4-[3-[3,5-bis(4-fluorophenyl)-1H-pyrrol-2-yl]-3-oxopropyl]-N-hydroxybenzamide (PubChem CID 148621746) has the molecular formula C26H20F2N2O3 and a molecular weight of 446.45 g/mol. Its IUPAC name is 4-[3-[3,5-bis(4-fluorophenyl)-1H-pyrrol-2-yl]-3-oxopropyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[3-[3,5-bis(4-fluorophenyl)-1H-pyrrol-2-yl]-3-oxopropyl]-N-hydroxybenzamide
PubChem CID148621746
Molecular FormulaC26H20F2N2O3
Molecular Weight446.45 g/mol
Exact Mass446.14
IUPAC Name4-[3-[3,5-bis(4-fluorophenyl)-1H-pyrrol-2-yl]-3-oxopropyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CCC(=O)c2[nH]c(-c3ccc(F)cc3)cc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C26H20F2N2O3/c27-20-10-6-17(7-11-20)22-15-23(18-8-12-21(28)13-9-18)29-25(22)24(31)14-3-16-1-4-19(5-2-16)26(32)30-33/h1-2,4-13,15,29,33H,3,14H2,(H,30,32)
InChIKeyNGKCXJUSIYRAFH-UHFFFAOYSA-N
XLogP5.56
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.45
LogP ≤ 55.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[3,5-bis(4-fluorophenyl)-1H-pyrrol-2-yl]-3-oxopropyl]-N-hydroxybenzamide?
The IUPAC name of 4-[3-[3,5-bis(4-fluorophenyl)-1H-pyrrol-2-yl]-3-oxopropyl]-N-hydroxybenzamide (CID 148621746) is 4-[3-[3,5-bis(4-fluorophenyl)-1H-pyrrol-2-yl]-3-oxopropyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[3-[3,5-bis(4-fluorophenyl)-1H-pyrrol-2-yl]-3-oxopropyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[3-[3,5-bis(4-fluorophenyl)-1H-pyrrol-2-yl]-3-oxopropyl]-N-hydroxybenzamide is O=C(NO)c1ccc(CCC(=O)c2[nH]c(-c3ccc(F)cc3)cc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[3-[3,5-bis(4-fluorophenyl)-1H-pyrrol-2-yl]-3-oxopropyl]-N-hydroxybenzamide?
The InChIKey is NGKCXJUSIYRAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F2N2O3/c27-20-10-6-17(7-11-20)22-15-23(18-8-12-21(28)13-9-18)29-25(22)24(31)14-3-16-1-4-19(5-2-16)26(32)30-33/h1-2,4-13,15,29,33H,3,14H2,(H,30,32).
What are the key properties of 4-[3-[3,5-bis(4-fluorophenyl)-1H-pyrrol-2-yl]-3-oxopropyl]-N-hydroxybenzamide?
4-[3-[3,5-bis(4-fluorophenyl)-1H-pyrrol-2-yl]-3-oxopropyl]-N-hydroxybenzamide has a molecular weight of 446.45 g/mol, XLogP of 5.56, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3,5-bis(4-fluorophenyl)-1H-pyrrol-2-yl]-3-oxopropyl]-N-hydroxybenzamide is sourced from PubChem (CID 148621746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).