4-[4-[5-(3-fluorophenyl)pentoxy]phenyl]benzamide

C24H24FNO2 — CID 58276440

IUPAC4-[4-[5-(3-fluorophenyl)pentoxy]phenyl]benzamide
SMILESNC(=O)c1ccc(-c2ccc(OCCCCCc3cccc(F)c3)cc2)cc1
InChIInChI=1S/C24H24FNO2/c25-22-7-4-6-18(17-22)5-2-1-3-16-28-23-14-12-20(13-15-23)19-8-10-21(11-9-19)24(26)27/h4,6-15,17H,1-3,5,16H2,(H2,26,27)
InChIKeyXNJUWVMOHPEYQN-UHFFFAOYSA-N
MW377.46 g/mol
LogP5.38
Rot. Bonds9

About 4-[4-[5-(3-fluorophenyl)pentoxy]phenyl]benzamide

4-[4-[5-(3-fluorophenyl)pentoxy]phenyl]benzamide (PubChem CID 58276440) has the molecular formula C24H24FNO2 and a molecular weight of 377.46 g/mol. Its IUPAC name is 4-[4-[5-(3-fluorophenyl)pentoxy]phenyl]benzamide.

Molecular Properties

Compound Name4-[4-[5-(3-fluorophenyl)pentoxy]phenyl]benzamide
PubChem CID58276440
Molecular FormulaC24H24FNO2
Molecular Weight377.46 g/mol
Exact Mass377.18
IUPAC Name4-[4-[5-(3-fluorophenyl)pentoxy]phenyl]benzamide
SMILESNC(=O)c1ccc(-c2ccc(OCCCCCc3cccc(F)c3)cc2)cc1
InChIInChI=1S/C24H24FNO2/c25-22-7-4-6-18(17-22)5-2-1-3-16-28-23-14-12-20(13-15-23)19-8-10-21(11-9-19)24(26)27/h4,6-15,17H,1-3,5,16H2,(H2,26,27)
InChIKeyXNJUWVMOHPEYQN-UHFFFAOYSA-N
XLogP5.38
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.46
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(5-phenylpentoxy)benzamide
CID 142267536
4-(4-phenylbutoxy)benzamide
CID 11963163
3-[4-[2-[2-(3-fluorophenyl)ethylamino]ethoxy]phenyl]benzamide
CID 58276651
3-[4-(4-phenylbutoxy)phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 123258613
5-[4-[2-[2-(3-fluorophenyl)ethylamino]ethoxy]phenyl]pyridine-3-carboxamide
CID 58276289
4-[3-[2-[(3-fluorophenyl)methylamino]ethoxy]phenyl]benzamide
CID 58276753
5-[4-[2-[2-(3-fluorophenyl)ethylamino]ethoxy]phenyl]pyridine-3-carboxamide;hydrochloride
CID 67163111
4-[4-(6-methylheptoxy)phenyl]benzamide
CID 58276365
2-[[4-[3-(3-fluorophenyl)propoxy]phenyl]methylamino]-3-hydroxypropanamide
CID 19388171
4-(4-propoxyphenyl)benzamide
CID 23771495
2-[4-[4-(3-fluorophenoxy)butoxy]phenyl]-2-oxoacetic acid
CID 19004356
5-[4-[(3-fluorophenyl)methoxy]phenoxy]pentan-1-amine;hydrochloride
CID 139814633

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-(3-fluorophenyl)pentoxy]phenyl]benzamide?
The IUPAC name of 4-[4-[5-(3-fluorophenyl)pentoxy]phenyl]benzamide (CID 58276440) is 4-[4-[5-(3-fluorophenyl)pentoxy]phenyl]benzamide.
What is the SMILES notation for 4-[4-[5-(3-fluorophenyl)pentoxy]phenyl]benzamide?
The canonical SMILES for 4-[4-[5-(3-fluorophenyl)pentoxy]phenyl]benzamide is NC(=O)c1ccc(-c2ccc(OCCCCCc3cccc(F)c3)cc2)cc1.
What is the InChIKey of 4-[4-[5-(3-fluorophenyl)pentoxy]phenyl]benzamide?
The InChIKey is XNJUWVMOHPEYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FNO2/c25-22-7-4-6-18(17-22)5-2-1-3-16-28-23-14-12-20(13-15-23)19-8-10-21(11-9-19)24(26)27/h4,6-15,17H,1-3,5,16H2,(H2,26,27).
What are the key properties of 4-[4-[5-(3-fluorophenyl)pentoxy]phenyl]benzamide?
4-[4-[5-(3-fluorophenyl)pentoxy]phenyl]benzamide has a molecular weight of 377.46 g/mol, XLogP of 5.38, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-(3-fluorophenyl)pentoxy]phenyl]benzamide is sourced from PubChem (CID 58276440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).