N-(3,4-difluorophenyl)-2-(pyridin-4-ylmethylamino)acetamide

C14H13F2N3O — CID 47107068

IUPACN-(3,4-difluorophenyl)-2-(pyridin-4-ylmethylamino)acetamide
SMILESO=C(CNCc1ccncc1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C14H13F2N3O/c15-12-2-1-11(7-13(12)16)19-14(20)9-18-8-10-3-5-17-6-4-10/h1-7,18H,8-9H2,(H,19,20)
InChIKeyBLYHOBBBQXXMJV-UHFFFAOYSA-N
MW277.27 g/mol
LogP2.09
Rot. Bonds5

About N-(3,4-difluorophenyl)-2-(pyridin-4-ylmethylamino)acetamide

N-(3,4-difluorophenyl)-2-(pyridin-4-ylmethylamino)acetamide (PubChem CID 47107068) has the molecular formula C14H13F2N3O and a molecular weight of 277.27 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-(pyridin-4-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-(pyridin-4-ylmethylamino)acetamide
PubChem CID47107068
Molecular FormulaC14H13F2N3O
Molecular Weight277.27 g/mol
Exact Mass277.10
IUPAC NameN-(3,4-difluorophenyl)-2-(pyridin-4-ylmethylamino)acetamide
SMILESO=C(CNCc1ccncc1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C14H13F2N3O/c15-12-2-1-11(7-13(12)16)19-14(20)9-18-8-10-3-5-17-6-4-10/h1-7,18H,8-9H2,(H,19,20)
InChIKeyBLYHOBBBQXXMJV-UHFFFAOYSA-N
XLogP2.09
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-2-(pyridin-4-ylmethylamino)acetamide
CID 17066841
N-(3,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)acetamide
CID 108999660
N-(3,4-difluorophenyl)-2-(pyridin-2-ylmethylamino)acetamide
CID 47107070
N-(1,3-benzodioxol-5-yl)-2-(pyridin-4-ylmethylamino)acetamide
CID 108999711
N,N'-bis(3,4-difluorophenyl)propanediamide
CID 108956967
N-(4-phenylmethoxyphenyl)-2-(pyridin-4-ylmethylamino)acetamide
CID 108999707
N-(3-chloro-4-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 108998147
N,N'-bis(3,4-difluorophenyl)butanediamide
CID 896186
methyl 4-[[2-(pyridin-4-ylmethylamino)acetyl]amino]benzoate;oxalic acid
CID 15944793
2-[acetyl(pyridin-4-ylmethyl)amino]-N-(3,4-difluorophenyl)acetamide
CID 113163940
N-(3-chloro-4-methylphenyl)-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997773
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(pyridin-4-ylmethylamino)acetamide
CID 108999704

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-(pyridin-4-ylmethylamino)acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-(pyridin-4-ylmethylamino)acetamide (CID 47107068) is N-(3,4-difluorophenyl)-2-(pyridin-4-ylmethylamino)acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-(pyridin-4-ylmethylamino)acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-(pyridin-4-ylmethylamino)acetamide is O=C(CNCc1ccncc1)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-(pyridin-4-ylmethylamino)acetamide?
The InChIKey is BLYHOBBBQXXMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O/c15-12-2-1-11(7-13(12)16)19-14(20)9-18-8-10-3-5-17-6-4-10/h1-7,18H,8-9H2,(H,19,20).
What are the key properties of N-(3,4-difluorophenyl)-2-(pyridin-4-ylmethylamino)acetamide?
N-(3,4-difluorophenyl)-2-(pyridin-4-ylmethylamino)acetamide has a molecular weight of 277.27 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-(pyridin-4-ylmethylamino)acetamide is sourced from PubChem (CID 47107068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).