N-(4-cyclopentylphenyl)-4-(3-fluoro-2-pyridinyl)benzamide

C23H21FN2O — CID 58639613

IUPACN-(4-cyclopentylphenyl)-4-(3-fluoro-2-pyridinyl)benzamide
SMILESO=C(Nc1ccc(C2CCCC2)cc1)c1ccc(-c2ncccc2F)cc1
InChIInChI=1S/C23H21FN2O/c24-21-6-3-15-25-22(21)18-7-9-19(10-8-18)23(27)26-20-13-11-17(12-14-20)16-4-1-2-5-16/h3,6-16H,1-2,4-5H2,(H,26,27)
InChIKeyAQYCNWFIUAUSFH-UHFFFAOYSA-N
MW360.43 g/mol
LogP5.80
Rot. Bonds4

About N-(4-cyclopentylphenyl)-4-(3-fluoro-2-pyridinyl)benzamide

N-(4-cyclopentylphenyl)-4-(3-fluoro-2-pyridinyl)benzamide (PubChem CID 58639613) has the molecular formula C23H21FN2O and a molecular weight of 360.43 g/mol. Its IUPAC name is N-(4-cyclopentylphenyl)-4-(3-fluoro-2-pyridinyl)benzamide.

Molecular Properties

Compound NameN-(4-cyclopentylphenyl)-4-(3-fluoro-2-pyridinyl)benzamide
PubChem CID58639613
Molecular FormulaC23H21FN2O
Molecular Weight360.43 g/mol
Exact Mass360.16
IUPAC NameN-(4-cyclopentylphenyl)-4-(3-fluoro-2-pyridinyl)benzamide
SMILESO=C(Nc1ccc(C2CCCC2)cc1)c1ccc(-c2ncccc2F)cc1
InChIInChI=1S/C23H21FN2O/c24-21-6-3-15-25-22(21)18-7-9-19(10-8-18)23(27)26-20-13-11-17(12-14-20)16-4-1-2-5-16/h3,6-16H,1-2,4-5H2,(H,26,27)
InChIKeyAQYCNWFIUAUSFH-UHFFFAOYSA-N
XLogP5.80
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.43
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopentylphenyl)-4-(3-fluoro-2-pyridinyl)benzamide?
The IUPAC name of N-(4-cyclopentylphenyl)-4-(3-fluoro-2-pyridinyl)benzamide (CID 58639613) is N-(4-cyclopentylphenyl)-4-(3-fluoro-2-pyridinyl)benzamide.
What is the SMILES notation for N-(4-cyclopentylphenyl)-4-(3-fluoro-2-pyridinyl)benzamide?
The canonical SMILES for N-(4-cyclopentylphenyl)-4-(3-fluoro-2-pyridinyl)benzamide is O=C(Nc1ccc(C2CCCC2)cc1)c1ccc(-c2ncccc2F)cc1.
What is the InChIKey of N-(4-cyclopentylphenyl)-4-(3-fluoro-2-pyridinyl)benzamide?
The InChIKey is AQYCNWFIUAUSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O/c24-21-6-3-15-25-22(21)18-7-9-19(10-8-18)23(27)26-20-13-11-17(12-14-20)16-4-1-2-5-16/h3,6-16H,1-2,4-5H2,(H,26,27).
What are the key properties of N-(4-cyclopentylphenyl)-4-(3-fluoro-2-pyridinyl)benzamide?
N-(4-cyclopentylphenyl)-4-(3-fluoro-2-pyridinyl)benzamide has a molecular weight of 360.43 g/mol, XLogP of 5.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopentylphenyl)-4-(3-fluoro-2-pyridinyl)benzamide is sourced from PubChem (CID 58639613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).