7-[(1R,2R,3R,5S)-2-[5-(2-fluorophenyl)-3-hydroxypent-4-enyl]-3,5-dihydroxycyclopentyl]-N-hydroxyheptanamide

C23H34FNO5 — CID 91310930

IUPAC7-[(1R,2R,3R,5S)-2-[5-(2-fluorophenyl)-3-hydroxypent-4-enyl]-3,5-dihydroxycyclopentyl]-N-hydroxyheptanamide
SMILESO=C(CCCCCC[C@@H]1[C@@H](CCC(O)C=Cc2ccccc2F)[C@H](O)C[C@@H]1O)NO
InChIInChI=1S/C23H34FNO5/c24-20-9-6-5-7-16(20)11-12-17(26)13-14-19-18(21(27)15-22(19)28)8-3-1-2-4-10-23(29)25-30/h5-7,9,11-12,17-19,21-22,26-28,30H,1-4,8,10,13-15H2,(H,25,29)/t17?,18-,19-,21+,22-/m1/s1
InChIKeyWZZCTSUZRXEAAK-TVIJTFOQSA-N
MW423.53 g/mol
LogP3.18
Rot. Bonds12

About 7-[(1R,2R,3R,5S)-2-[5-(2-fluorophenyl)-3-hydroxypent-4-enyl]-3,5-dihydroxycyclopentyl]-N-hydroxyheptanamide

7-[(1R,2R,3R,5S)-2-[5-(2-fluorophenyl)-3-hydroxypent-4-enyl]-3,5-dihydroxycyclopentyl]-N-hydroxyheptanamide (PubChem CID 91310930) has the molecular formula C23H34FNO5 and a molecular weight of 423.53 g/mol. Its IUPAC name is 7-[(1R,2R,3R,5S)-2-[5-(2-fluorophenyl)-3-hydroxypent-4-enyl]-3,5-dihydroxycyclopentyl]-N-hydroxyheptanamide.

Molecular Properties

Compound Name7-[(1R,2R,3R,5S)-2-[5-(2-fluorophenyl)-3-hydroxypent-4-enyl]-3,5-dihydroxycyclopentyl]-N-hydroxyheptanamide
PubChem CID91310930
Molecular FormulaC23H34FNO5
Molecular Weight423.53 g/mol
Exact Mass423.24
IUPAC Name7-[(1R,2R,3R,5S)-2-[5-(2-fluorophenyl)-3-hydroxypent-4-enyl]-3,5-dihydroxycyclopentyl]-N-hydroxyheptanamide
SMILESO=C(CCCCCC[C@@H]1[C@@H](CCC(O)C=Cc2ccccc2F)[C@H](O)C[C@@H]1O)NO
InChIInChI=1S/C23H34FNO5/c24-20-9-6-5-7-16(20)11-12-17(26)13-14-19-18(21(27)15-22(19)28)8-3-1-2-4-10-23(29)25-30/h5-7,9,11-12,17-19,21-22,26-28,30H,1-4,8,10,13-15H2,(H,25,29)/t17?,18-,19-,21+,22-/m1/s1
InChIKeyWZZCTSUZRXEAAK-TVIJTFOQSA-N
XLogP3.18
TPSA110.02 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.53
LogP ≤ 53.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 7-[(1R,2R,3R,5S)-2-[5-(2-fluorophenyl)-3-hydroxypent-4-enyl]-3,5-dihydroxycyclopentyl]-N-hydroxyheptanamide?
The IUPAC name of 7-[(1R,2R,3R,5S)-2-[5-(2-fluorophenyl)-3-hydroxypent-4-enyl]-3,5-dihydroxycyclopentyl]-N-hydroxyheptanamide (CID 91310930) is 7-[(1R,2R,3R,5S)-2-[5-(2-fluorophenyl)-3-hydroxypent-4-enyl]-3,5-dihydroxycyclopentyl]-N-hydroxyheptanamide.
What is the SMILES notation for 7-[(1R,2R,3R,5S)-2-[5-(2-fluorophenyl)-3-hydroxypent-4-enyl]-3,5-dihydroxycyclopentyl]-N-hydroxyheptanamide?
The canonical SMILES for 7-[(1R,2R,3R,5S)-2-[5-(2-fluorophenyl)-3-hydroxypent-4-enyl]-3,5-dihydroxycyclopentyl]-N-hydroxyheptanamide is O=C(CCCCCC[C@@H]1[C@@H](CCC(O)C=Cc2ccccc2F)[C@H](O)C[C@@H]1O)NO.
What is the InChIKey of 7-[(1R,2R,3R,5S)-2-[5-(2-fluorophenyl)-3-hydroxypent-4-enyl]-3,5-dihydroxycyclopentyl]-N-hydroxyheptanamide?
The InChIKey is WZZCTSUZRXEAAK-TVIJTFOQSA-N. The full InChI is InChI=1S/C23H34FNO5/c24-20-9-6-5-7-16(20)11-12-17(26)13-14-19-18(21(27)15-22(19)28)8-3-1-2-4-10-23(29)25-30/h5-7,9,11-12,17-19,21-22,26-28,30H,1-4,8,10,13-15H2,(H,25,29)/t17?,18-,19-,21+,22-/m1/s1.
What are the key properties of 7-[(1R,2R,3R,5S)-2-[5-(2-fluorophenyl)-3-hydroxypent-4-enyl]-3,5-dihydroxycyclopentyl]-N-hydroxyheptanamide?
7-[(1R,2R,3R,5S)-2-[5-(2-fluorophenyl)-3-hydroxypent-4-enyl]-3,5-dihydroxycyclopentyl]-N-hydroxyheptanamide has a molecular weight of 423.53 g/mol, XLogP of 3.18, 12 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1R,2R,3R,5S)-2-[5-(2-fluorophenyl)-3-hydroxypent-4-enyl]-3,5-dihydroxycyclopentyl]-N-hydroxyheptanamide is sourced from PubChem (CID 91310930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).