2-(3-fluorophenyl)-N-[5-(3-methylanilino)-2-pyridinyl]acetamide

C20H18FN3O — CID 113031460

IUPAC2-(3-fluorophenyl)-N-[5-(3-methylanilino)-2-pyridinyl]acetamide
SMILESCc1cccc(Nc2ccc(NC(=O)Cc3cccc(F)c3)nc2)c1
InChIInChI=1S/C20H18FN3O/c1-14-4-2-7-17(10-14)23-18-8-9-19(22-13-18)24-20(25)12-15-5-3-6-16(21)11-15/h2-11,13,23H,12H2,1H3,(H,22,24,25)
InChIKeyDLQJBCALEDPROS-UHFFFAOYSA-N
MW335.38 g/mol
LogP4.45
Rot. Bonds5

About 2-(3-fluorophenyl)-N-[5-(3-methylanilino)-2-pyridinyl]acetamide

2-(3-fluorophenyl)-N-[5-(3-methylanilino)-2-pyridinyl]acetamide (PubChem CID 113031460) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[5-(3-methylanilino)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[5-(3-methylanilino)-2-pyridinyl]acetamide
PubChem CID113031460
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC Name2-(3-fluorophenyl)-N-[5-(3-methylanilino)-2-pyridinyl]acetamide
SMILESCc1cccc(Nc2ccc(NC(=O)Cc3cccc(F)c3)nc2)c1
InChIInChI=1S/C20H18FN3O/c1-14-4-2-7-17(10-14)23-18-8-9-19(22-13-18)24-20(25)12-15-5-3-6-16(21)11-15/h2-11,13,23H,12H2,1H3,(H,22,24,25)
InChIKeyDLQJBCALEDPROS-UHFFFAOYSA-N
XLogP4.45
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(4-ethylanilino)-2-pyridinyl]-2-(3-fluorophenyl)acetamide
CID 113032512
N-[5-(4-acetamidoanilino)-2-pyridinyl]-2-(3-fluorophenyl)acetamide
CID 113035220
N-[5-(2,5-dimethylanilino)-2-pyridinyl]-2-(3-fluorophenyl)acetamide
CID 113032051
N-(6-anilino-3-pyridinyl)-2-(3-fluorophenyl)acetamide
CID 113016055
N-[6-(3-fluoroanilino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide
CID 113049983
4-fluoro-N-[5-(3-methylanilino)-2-pyridinyl]benzamide
CID 113031425
2-(3-methylphenyl)-N-[5-(propylamino)-2-pyridinyl]acetamide
CID 113023476
2-(3-fluorophenyl)-N-[6-(2-methylanilino)-3-pyridinyl]acetamide
CID 113016132
N-[6-(2,3-dimethylanilino)-3-pyridinyl]-2-(3-fluorophenyl)acetamide
CID 113017296
2-(3-fluorophenyl)-N-[5-(prop-2-enylamino)-2-pyridinyl]acetamide
CID 113023879
N-[5-(3-fluoroanilino)-2-pyridinyl]-4-methylbenzamide
CID 113035866
N-[5-(3-methylanilino)-2-pyridinyl]furan-2-carboxamide
CID 113031417

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[5-(3-methylanilino)-2-pyridinyl]acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[5-(3-methylanilino)-2-pyridinyl]acetamide (CID 113031460) is 2-(3-fluorophenyl)-N-[5-(3-methylanilino)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[5-(3-methylanilino)-2-pyridinyl]acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[5-(3-methylanilino)-2-pyridinyl]acetamide is Cc1cccc(Nc2ccc(NC(=O)Cc3cccc(F)c3)nc2)c1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[5-(3-methylanilino)-2-pyridinyl]acetamide?
The InChIKey is DLQJBCALEDPROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O/c1-14-4-2-7-17(10-14)23-18-8-9-19(22-13-18)24-20(25)12-15-5-3-6-16(21)11-15/h2-11,13,23H,12H2,1H3,(H,22,24,25).
What are the key properties of 2-(3-fluorophenyl)-N-[5-(3-methylanilino)-2-pyridinyl]acetamide?
2-(3-fluorophenyl)-N-[5-(3-methylanilino)-2-pyridinyl]acetamide has a molecular weight of 335.38 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[5-(3-methylanilino)-2-pyridinyl]acetamide is sourced from PubChem (CID 113031460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).