2-fluoro-4-(4-pentyloxan-2-yl)benzamide

C17H24FNO2 — CID 57189797

IUPAC2-fluoro-4-(4-pentyloxan-2-yl)benzamide
SMILESCCCCCC1CCOC(c2ccc(C(N)=O)c(F)c2)C1
InChIInChI=1S/C17H24FNO2/c1-2-3-4-5-12-8-9-21-16(10-12)13-6-7-14(17(19)20)15(18)11-13/h6-7,11-12,16H,2-5,8-10H2,1H3,(H2,19,20)
InChIKeyMKVPQPKHPOXJRP-UHFFFAOYSA-N
MW293.38 g/mol
LogP3.97
Rot. Bonds6

About 2-fluoro-4-(4-pentyloxan-2-yl)benzamide

2-fluoro-4-(4-pentyloxan-2-yl)benzamide (PubChem CID 57189797) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is 2-fluoro-4-(4-pentyloxan-2-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-4-(4-pentyloxan-2-yl)benzamide
PubChem CID57189797
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Name2-fluoro-4-(4-pentyloxan-2-yl)benzamide
SMILESCCCCCC1CCOC(c2ccc(C(N)=O)c(F)c2)C1
InChIInChI=1S/C17H24FNO2/c1-2-3-4-5-12-8-9-21-16(10-12)13-6-7-14(17(19)20)15(18)11-13/h6-7,11-12,16H,2-5,8-10H2,1H3,(H2,19,20)
InChIKeyMKVPQPKHPOXJRP-UHFFFAOYSA-N
XLogP3.97
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 53.97
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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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(4-pentyloxan-2-yl)benzamide?
The IUPAC name of 2-fluoro-4-(4-pentyloxan-2-yl)benzamide (CID 57189797) is 2-fluoro-4-(4-pentyloxan-2-yl)benzamide.
What is the SMILES notation for 2-fluoro-4-(4-pentyloxan-2-yl)benzamide?
The canonical SMILES for 2-fluoro-4-(4-pentyloxan-2-yl)benzamide is CCCCCC1CCOC(c2ccc(C(N)=O)c(F)c2)C1.
What is the InChIKey of 2-fluoro-4-(4-pentyloxan-2-yl)benzamide?
The InChIKey is MKVPQPKHPOXJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-2-3-4-5-12-8-9-21-16(10-12)13-6-7-14(17(19)20)15(18)11-13/h6-7,11-12,16H,2-5,8-10H2,1H3,(H2,19,20).
What are the key properties of 2-fluoro-4-(4-pentyloxan-2-yl)benzamide?
2-fluoro-4-(4-pentyloxan-2-yl)benzamide has a molecular weight of 293.38 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(4-pentyloxan-2-yl)benzamide is sourced from PubChem (CID 57189797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).