3-fluoro-N-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]benzamide

C21H20FN3O2 — CID 113028470

IUPAC3-fluoro-N-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]benzamide
SMILESCOc1ccc(CCNc2ccc(NC(=O)c3cccc(F)c3)nc2)cc1
InChIInChI=1S/C21H20FN3O2/c1-27-19-8-5-15(6-9-19)11-12-23-18-7-10-20(24-14-18)25-21(26)16-3-2-4-17(22)13-16/h2-10,13-14,23H,11-12H2,1H3,(H,24,25,26)
InChIKeyMRPHSDQDFQLPRD-UHFFFAOYSA-N
MW365.41 g/mol
LogP4.14
Rot. Bonds7

About 3-fluoro-N-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]benzamide

3-fluoro-N-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]benzamide (PubChem CID 113028470) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is 3-fluoro-N-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]benzamide
PubChem CID113028470
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name3-fluoro-N-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]benzamide
SMILESCOc1ccc(CCNc2ccc(NC(=O)c3cccc(F)c3)nc2)cc1
InChIInChI=1S/C21H20FN3O2/c1-27-19-8-5-15(6-9-19)11-12-23-18-7-10-20(24-14-18)25-21(26)16-3-2-4-17(22)13-16/h2-10,13-14,23H,11-12H2,1H3,(H,24,25,26)
InChIKeyMRPHSDQDFQLPRD-UHFFFAOYSA-N
XLogP4.14
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[5-(3-methoxypropylamino)-2-pyridinyl]benzamide
CID 113025164
3-fluoro-N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]benzamide
CID 113028182
N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-3-methoxybenzamide
CID 113028185
N-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-3,4-dimethylbenzamide
CID 113028411
N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-4-methoxybenzamide
CID 113028186
N-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-3-phenylpropanamide
CID 113028481
3-N-(4-fluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109055517
1-N-[2-(4-fluorophenyl)ethyl]-3-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109055448
N-(3-fluorophenyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109236961
3-fluoro-N-[5-(2-methylpropylamino)-2-pyridinyl]benzamide
CID 113024101
2-(3-fluorophenyl)-N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]acetamide
CID 113027442
4-fluoro-N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]benzamide
CID 113013432

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]benzamide?
The IUPAC name of 3-fluoro-N-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]benzamide (CID 113028470) is 3-fluoro-N-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]benzamide?
The canonical SMILES for 3-fluoro-N-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]benzamide is COc1ccc(CCNc2ccc(NC(=O)c3cccc(F)c3)nc2)cc1.
What is the InChIKey of 3-fluoro-N-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]benzamide?
The InChIKey is MRPHSDQDFQLPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-27-19-8-5-15(6-9-19)11-12-23-18-7-10-20(24-14-18)25-21(26)16-3-2-4-17(22)13-16/h2-10,13-14,23H,11-12H2,1H3,(H,24,25,26).
What are the key properties of 3-fluoro-N-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]benzamide?
3-fluoro-N-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]benzamide has a molecular weight of 365.41 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]benzamide is sourced from PubChem (CID 113028470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).