4-[4-(2-fluoro-3-pyridinyl)phenyl]-N-(4-hydroxyphenyl)butanamide

C21H19FN2O2 — CID 135335735

IUPAC4-[4-(2-fluoro-3-pyridinyl)phenyl]-N-(4-hydroxyphenyl)butanamide
SMILESO=C(CCCc1ccc(-c2cccnc2F)cc1)Nc1ccc(O)cc1
InChIInChI=1S/C21H19FN2O2/c22-21-19(4-2-14-23-21)16-8-6-15(7-9-16)3-1-5-20(26)24-17-10-12-18(25)13-11-17/h2,4,6-14,25H,1,3,5H2,(H,24,26)
InChIKeyULZGONBLGFFMKX-UHFFFAOYSA-N
MW350.39 g/mol
LogP4.55
Rot. Bonds6

About 4-[4-(2-fluoro-3-pyridinyl)phenyl]-N-(4-hydroxyphenyl)butanamide

4-[4-(2-fluoro-3-pyridinyl)phenyl]-N-(4-hydroxyphenyl)butanamide (PubChem CID 135335735) has the molecular formula C21H19FN2O2 and a molecular weight of 350.39 g/mol. Its IUPAC name is 4-[4-(2-fluoro-3-pyridinyl)phenyl]-N-(4-hydroxyphenyl)butanamide.

Molecular Properties

Compound Name4-[4-(2-fluoro-3-pyridinyl)phenyl]-N-(4-hydroxyphenyl)butanamide
PubChem CID135335735
Molecular FormulaC21H19FN2O2
Molecular Weight350.39 g/mol
Exact Mass350.14
IUPAC Name4-[4-(2-fluoro-3-pyridinyl)phenyl]-N-(4-hydroxyphenyl)butanamide
SMILESO=C(CCCc1ccc(-c2cccnc2F)cc1)Nc1ccc(O)cc1
InChIInChI=1S/C21H19FN2O2/c22-21-19(4-2-14-23-21)16-8-6-15(7-9-16)3-1-5-20(26)24-17-10-12-18(25)13-11-17/h2,4,6-14,25H,1,3,5H2,(H,24,26)
InChIKeyULZGONBLGFFMKX-UHFFFAOYSA-N
XLogP4.55
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-(4-hydroxyphenyl)-N-isoquinolin-6-ylpropanamide
CID 70833218
3,3-difluoro-N-(4-fluorophenyl)-1-[4-[4-(hydroxymethyl)-6-(trifluoromethyl)pyridin-3-yl]phenyl]cyclobutane-1-carboxamide
CID 138609037
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-pyridin-4-ylpropanamide
CID 24818296
3-(2-hydroxy-5-methylphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 2965131
N-[4-hydroxy-4-(5-hydroxypyridin-2-yl)cyclohexyl]-3-phenylpropanamide
CID 9819317
2-hydroxy-N-(4-(trifluoromethyl)phenyl)-4-(3-(trifluoromethyl)pyridin-2-yl)benzamide
CID 10455135
3'-hydroxy-N-[4-(3-pyridinyl)butyl][1,1'-biphenyl]-4-carboxamide
CID 14570085
5-(2-Fluoropyridin-3-yl)-2-(3-(6-hydroxynaphthalen-2-yl)propanamido)cyclohex-1-enecarboxylic acid
CID 24811199
5-(6-Fluoropyridin-3-yl)-2-(3-(6-hydroxynaphthalen-2-yl)propanamido)cyclohex-1-enecarboxylic acid
CID 24811550
6,7-difluoro-3-(4-hydroxyphenyl)-3-pyridin-4-yl-1H-indol-2-one
CID 25060814
6,7-difluoro-3-(4-hydroxyphenyl)-3-pyridin-3-yl-1H-indol-2-one
CID 25061068
5-(2-Fluoropyridin-3-yl)-2-(3-(4''-hydroxybiphenyl-4-yl)propanamido)cyclohex-1-enecarboxylic acid
CID 46890401

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluoro-3-pyridinyl)phenyl]-N-(4-hydroxyphenyl)butanamide?
The IUPAC name of 4-[4-(2-fluoro-3-pyridinyl)phenyl]-N-(4-hydroxyphenyl)butanamide (CID 135335735) is 4-[4-(2-fluoro-3-pyridinyl)phenyl]-N-(4-hydroxyphenyl)butanamide.
What is the SMILES notation for 4-[4-(2-fluoro-3-pyridinyl)phenyl]-N-(4-hydroxyphenyl)butanamide?
The canonical SMILES for 4-[4-(2-fluoro-3-pyridinyl)phenyl]-N-(4-hydroxyphenyl)butanamide is O=C(CCCc1ccc(-c2cccnc2F)cc1)Nc1ccc(O)cc1.
What is the InChIKey of 4-[4-(2-fluoro-3-pyridinyl)phenyl]-N-(4-hydroxyphenyl)butanamide?
The InChIKey is ULZGONBLGFFMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O2/c22-21-19(4-2-14-23-21)16-8-6-15(7-9-16)3-1-5-20(26)24-17-10-12-18(25)13-11-17/h2,4,6-14,25H,1,3,5H2,(H,24,26).
What are the key properties of 4-[4-(2-fluoro-3-pyridinyl)phenyl]-N-(4-hydroxyphenyl)butanamide?
4-[4-(2-fluoro-3-pyridinyl)phenyl]-N-(4-hydroxyphenyl)butanamide has a molecular weight of 350.39 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluoro-3-pyridinyl)phenyl]-N-(4-hydroxyphenyl)butanamide is sourced from PubChem (CID 135335735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).