(4-fluorophenyl)-[5-(4-phenoxyphenyl)-2-(propylamino)-3-pyridinyl]methanone

C27H23FN2O2 — CID 72712025

IUPAC(4-fluorophenyl)-[5-(4-phenoxyphenyl)-2-(propylamino)-3-pyridinyl]methanone
SMILESCCCNc1ncc(-c2ccc(Oc3ccccc3)cc2)cc1C(=O)c1ccc(F)cc1
InChIInChI=1S/C27H23FN2O2/c1-2-16-29-27-25(26(31)20-8-12-22(28)13-9-20)17-21(18-30-27)19-10-14-24(15-11-19)32-23-6-4-3-5-7-23/h3-15,17-18H,2,16H2,1H3,(H,29,30)
InChIKeyYCLGAWLPBXLTAM-UHFFFAOYSA-N
MW426.49 g/mol
LogP6.73
Rot. Bonds8

About (4-fluorophenyl)-[5-(4-phenoxyphenyl)-2-(propylamino)-3-pyridinyl]methanone

(4-fluorophenyl)-[5-(4-phenoxyphenyl)-2-(propylamino)-3-pyridinyl]methanone (PubChem CID 72712025) has the molecular formula C27H23FN2O2 and a molecular weight of 426.49 g/mol. Its IUPAC name is (4-fluorophenyl)-[5-(4-phenoxyphenyl)-2-(propylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[5-(4-phenoxyphenyl)-2-(propylamino)-3-pyridinyl]methanone
PubChem CID72712025
Molecular FormulaC27H23FN2O2
Molecular Weight426.49 g/mol
Exact Mass426.17
IUPAC Name(4-fluorophenyl)-[5-(4-phenoxyphenyl)-2-(propylamino)-3-pyridinyl]methanone
SMILESCCCNc1ncc(-c2ccc(Oc3ccccc3)cc2)cc1C(=O)c1ccc(F)cc1
InChIInChI=1S/C27H23FN2O2/c1-2-16-29-27-25(26(31)20-8-12-22(28)13-9-20)17-21(18-30-27)19-10-14-24(15-11-19)32-23-6-4-3-5-7-23/h3-15,17-18H,2,16H2,1H3,(H,29,30)
InChIKeyYCLGAWLPBXLTAM-UHFFFAOYSA-N
XLogP6.73
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.49
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-difluorophenyl)-[5-(4-ethoxyphenyl)-2-(propylamino)-3-pyridinyl]methanone
CID 72712452
(3,4-difluorophenyl)-[5-(4-ethoxyphenyl)-2-(ethylamino)-3-pyridinyl]methanone
CID 72712456
(2,4-difluorophenyl)-(4-phenoxyphenyl)methanone
CID 146007872
(4-phenoxyphenyl)-[4-(4-phenoxyphenyl)phenyl]methanone
CID 134445747
1-fluoro-4-(4-phenoxyphenyl)benzene
CID 163618291
2-[4-(4-fluorophenoxy)phenyl]-6-(propylamino)pyrimidine-4-carboxamide
CID 130181617
2-(4-ethoxyphenyl)-4-(propylamino)pyrimidine-5-carboxylic acid
CID 82169174
(5-fluoro-2-methylphenyl)-(4-propoxyphenyl)methanone
CID 63409331
[2-methyl-4-(propylamino)phenyl]-phenylmethanone
CID 174896949
ethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 142280871
[2-[4-(4-methoxyphenyl)phenoxy]-5-methylphenyl]-[4-(4-phenoxyphenoxy)phenyl]methanone
CID 58858848
2-(2-fluorophenyl)-4-(propylamino)pyrimidine-5-carboxylic acid
CID 82169164

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[5-(4-phenoxyphenyl)-2-(propylamino)-3-pyridinyl]methanone?
The IUPAC name of (4-fluorophenyl)-[5-(4-phenoxyphenyl)-2-(propylamino)-3-pyridinyl]methanone (CID 72712025) is (4-fluorophenyl)-[5-(4-phenoxyphenyl)-2-(propylamino)-3-pyridinyl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[5-(4-phenoxyphenyl)-2-(propylamino)-3-pyridinyl]methanone?
The canonical SMILES for (4-fluorophenyl)-[5-(4-phenoxyphenyl)-2-(propylamino)-3-pyridinyl]methanone is CCCNc1ncc(-c2ccc(Oc3ccccc3)cc2)cc1C(=O)c1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)-[5-(4-phenoxyphenyl)-2-(propylamino)-3-pyridinyl]methanone?
The InChIKey is YCLGAWLPBXLTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN2O2/c1-2-16-29-27-25(26(31)20-8-12-22(28)13-9-20)17-21(18-30-27)19-10-14-24(15-11-19)32-23-6-4-3-5-7-23/h3-15,17-18H,2,16H2,1H3,(H,29,30).
What are the key properties of (4-fluorophenyl)-[5-(4-phenoxyphenyl)-2-(propylamino)-3-pyridinyl]methanone?
(4-fluorophenyl)-[5-(4-phenoxyphenyl)-2-(propylamino)-3-pyridinyl]methanone has a molecular weight of 426.49 g/mol, XLogP of 6.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[5-(4-phenoxyphenyl)-2-(propylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 72712025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).