2-[acetyl(pyridin-4-ylmethyl)amino]-N-(3,4-difluorophenyl)acetamide

C16H15F2N3O2 — CID 113163940

IUPAC2-[acetyl(pyridin-4-ylmethyl)amino]-N-(3,4-difluorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(F)c(F)c1)Cc1ccncc1
InChIInChI=1S/C16H15F2N3O2/c1-11(22)21(9-12-4-6-19-7-5-12)10-16(23)20-13-2-3-14(17)15(18)8-13/h2-8H,9-10H2,1H3,(H,20,23)
InChIKeyQKNWYHDQMBBEHM-UHFFFAOYSA-N
MW319.31 g/mol
LogP2.35
Rot. Bonds5

About 2-[acetyl(pyridin-4-ylmethyl)amino]-N-(3,4-difluorophenyl)acetamide

2-[acetyl(pyridin-4-ylmethyl)amino]-N-(3,4-difluorophenyl)acetamide (PubChem CID 113163940) has the molecular formula C16H15F2N3O2 and a molecular weight of 319.31 g/mol. Its IUPAC name is 2-[acetyl(pyridin-4-ylmethyl)amino]-N-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(pyridin-4-ylmethyl)amino]-N-(3,4-difluorophenyl)acetamide
PubChem CID113163940
Molecular FormulaC16H15F2N3O2
Molecular Weight319.31 g/mol
Exact Mass319.11
IUPAC Name2-[acetyl(pyridin-4-ylmethyl)amino]-N-(3,4-difluorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(F)c(F)c1)Cc1ccncc1
InChIInChI=1S/C16H15F2N3O2/c1-11(22)21(9-12-4-6-19-7-5-12)10-16(23)20-13-2-3-14(17)15(18)8-13/h2-8H,9-10H2,1H3,(H,20,23)
InChIKeyQKNWYHDQMBBEHM-UHFFFAOYSA-N
XLogP2.35
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(4-chlorophenyl)acetamide
CID 113162786
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(3-chloro-4-methylphenyl)acetamide
CID 113162790
2-[acetyl(pentyl)amino]-N-(3,4-difluorophenyl)acetamide
CID 113166842
2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 113163017
3-[acetyl(pyridin-4-ylmethyl)amino]-N-(4-chlorophenyl)propanamide
CID 113120649
2-[acetyl(pyridin-4-ylmethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 113163941
N-(3,4-difluorophenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
CID 113140138
N-(3,4-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2658802
2-[acetyl(pyridin-4-ylmethyl)amino]-N-[(4-chlorophenyl)methyl]acetamide
CID 113163778
2-[acetyl(pyridin-4-ylmethyl)amino]-N-propan-2-ylacetamide
CID 113163745
2-[acetyl(pyridin-4-ylmethyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 113163901
N-(3,4-difluorophenyl)-2-(pyridin-4-ylmethylamino)acetamide
CID 47107068

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(pyridin-4-ylmethyl)amino]-N-(3,4-difluorophenyl)acetamide?
The IUPAC name of 2-[acetyl(pyridin-4-ylmethyl)amino]-N-(3,4-difluorophenyl)acetamide (CID 113163940) is 2-[acetyl(pyridin-4-ylmethyl)amino]-N-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[acetyl(pyridin-4-ylmethyl)amino]-N-(3,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[acetyl(pyridin-4-ylmethyl)amino]-N-(3,4-difluorophenyl)acetamide is CC(=O)N(CC(=O)Nc1ccc(F)c(F)c1)Cc1ccncc1.
What is the InChIKey of 2-[acetyl(pyridin-4-ylmethyl)amino]-N-(3,4-difluorophenyl)acetamide?
The InChIKey is QKNWYHDQMBBEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O2/c1-11(22)21(9-12-4-6-19-7-5-12)10-16(23)20-13-2-3-14(17)15(18)8-13/h2-8H,9-10H2,1H3,(H,20,23).
What are the key properties of 2-[acetyl(pyridin-4-ylmethyl)amino]-N-(3,4-difluorophenyl)acetamide?
2-[acetyl(pyridin-4-ylmethyl)amino]-N-(3,4-difluorophenyl)acetamide has a molecular weight of 319.31 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(pyridin-4-ylmethyl)amino]-N-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 113163940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).