4-[2-(4-fluorophenyl)oxolan-2-yl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide

C24H29FN2O4 — CID 87343059

IUPAC4-[2-(4-fluorophenyl)oxolan-2-yl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide
SMILESO=C(CCCCCCNC(=O)c1ccc(C2(c3ccc(F)cc3)CCCO2)cc1)NO
InChIInChI=1S/C24H29FN2O4/c25-21-13-11-20(12-14-21)24(15-5-17-31-24)19-9-7-18(8-10-19)23(29)26-16-4-2-1-3-6-22(28)27-30/h7-14,30H,1-6,15-17H2,(H,26,29)(H,27,28)
InChIKeyABGCEFDJNXIKQT-UHFFFAOYSA-N
MW428.50 g/mol
LogP4.07
Rot. Bonds10

About 4-[2-(4-fluorophenyl)oxolan-2-yl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide

4-[2-(4-fluorophenyl)oxolan-2-yl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide (PubChem CID 87343059) has the molecular formula C24H29FN2O4 and a molecular weight of 428.50 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)oxolan-2-yl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)oxolan-2-yl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide
PubChem CID87343059
Molecular FormulaC24H29FN2O4
Molecular Weight428.50 g/mol
Exact Mass428.21
IUPAC Name4-[2-(4-fluorophenyl)oxolan-2-yl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide
SMILESO=C(CCCCCCNC(=O)c1ccc(C2(c3ccc(F)cc3)CCCO2)cc1)NO
InChIInChI=1S/C24H29FN2O4/c25-21-13-11-20(12-14-21)24(15-5-17-31-24)19-9-7-18(8-10-19)23(29)26-16-4-2-1-3-6-22(28)27-30/h7-14,30H,1-6,15-17H2,(H,26,29)(H,27,28)
InChIKeyABGCEFDJNXIKQT-UHFFFAOYSA-N
XLogP4.07
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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Related Compounds

benzyl N-[2-[[2-[[4-(hydroxycarbamoyl)phenyl]methylamino]-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 155547057
N-[7-(hydroxyamino)-7-oxoheptyl]-4-[hydroxy(diphenyl)methyl]benzamide
CID 53340197
US8609678, 4-(bis(4-fluorophenyl)(hydroxy)methyl)-N-(7-(hydroxyamino)-7-oxoheptyl)benzamide [81]
CID 53340312
US8609678, 4-(bis(4-fluorophenyl)(methoxy)methyl)-N-(7-(hydroxyamino)-7-oxoheptyl)benzamide [82]
CID 53340313
US8609678, 4-(1-(4-fluorophenyl)-1-hydroxyethyl)-N-(7-(hydroxyamino)-7-oxoheptyl)benzamide [106]
CID 53340546
US8609678, 4-(bis(3-fluorophenyl)(methoxy)methyl)-N-(7-(hydroxyamino)-7-oxoheptyl)benzamide [105]
CID 53340547
US8609678, 4-(bis(3-fluorophenyl)(hydroxy)methyl)-N-(7-(hydroxyamino)-7-oxoheptyl)-N-methylbenzamide [113]
CID 53340548
US8609678, 4-(ethoxydiphenylmethyl)-N-(7-(hydroxyamino)-7-oxoheptyl)-N-methylbenzamide [109]
CID 58536966
US8609678, 4-(bis(3-fluorophenyl)(methoxy)methyl)-N-(7-(hydroxyamino)-7-oxoheptyl)-N-methylbenzamide [115]
CID 58536971
US8609678, 4-(1-(4-fluorophenyl)-1-methoxyethyl)-N-(7-(hydroxyamino)-7-oxoheptyl)-N-methylbenzamide [121]
CID 58536976
US8609678, 4-(1-(4-fluorophenyl)-1-hydroxyethyl)-N-(7-(hydroxyamino)-7-oxoheptyl)-N-methylbenzamide [119]
CID 58536978
US8609678, 4-(bis(2-fluorophenyl)(hydroxy)methyl)-N-(7-(hydroxyamino)-7-oxoheptyl)-N-methylbenzamide [127]
CID 58536979

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)oxolan-2-yl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide?
The IUPAC name of 4-[2-(4-fluorophenyl)oxolan-2-yl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide (CID 87343059) is 4-[2-(4-fluorophenyl)oxolan-2-yl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide.
What is the SMILES notation for 4-[2-(4-fluorophenyl)oxolan-2-yl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide?
The canonical SMILES for 4-[2-(4-fluorophenyl)oxolan-2-yl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide is O=C(CCCCCCNC(=O)c1ccc(C2(c3ccc(F)cc3)CCCO2)cc1)NO.
What is the InChIKey of 4-[2-(4-fluorophenyl)oxolan-2-yl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide?
The InChIKey is ABGCEFDJNXIKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O4/c25-21-13-11-20(12-14-21)24(15-5-17-31-24)19-9-7-18(8-10-19)23(29)26-16-4-2-1-3-6-22(28)27-30/h7-14,30H,1-6,15-17H2,(H,26,29)(H,27,28).
What are the key properties of 4-[2-(4-fluorophenyl)oxolan-2-yl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide?
4-[2-(4-fluorophenyl)oxolan-2-yl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide has a molecular weight of 428.50 g/mol, XLogP of 4.07, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)oxolan-2-yl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide is sourced from PubChem (CID 87343059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).