N-(2,6-difluorophenyl)-2-[(1-methylimidazol-2-yl)methylamino]acetamide

C13H14F2N4O — CID 63295828

IUPACN-(2,6-difluorophenyl)-2-[(1-methylimidazol-2-yl)methylamino]acetamide
SMILESCn1ccnc1CNCC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C13H14F2N4O/c1-19-6-5-17-11(19)7-16-8-12(20)18-13-9(14)3-2-4-10(13)15/h2-6,16H,7-8H2,1H3,(H,18,20)
InChIKeyHECQEYQAPYOBGF-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.43
Rot. Bonds5

About N-(2,6-difluorophenyl)-2-[(1-methylimidazol-2-yl)methylamino]acetamide

N-(2,6-difluorophenyl)-2-[(1-methylimidazol-2-yl)methylamino]acetamide (PubChem CID 63295828) has the molecular formula C13H14F2N4O and a molecular weight of 280.28 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-[(1-methylimidazol-2-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-[(1-methylimidazol-2-yl)methylamino]acetamide
PubChem CID63295828
Molecular FormulaC13H14F2N4O
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC NameN-(2,6-difluorophenyl)-2-[(1-methylimidazol-2-yl)methylamino]acetamide
SMILESCn1ccnc1CNCC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C13H14F2N4O/c1-19-6-5-17-11(19)7-16-8-12(20)18-13-9(14)3-2-4-10(13)15/h2-6,16H,7-8H2,1H3,(H,18,20)
InChIKeyHECQEYQAPYOBGF-UHFFFAOYSA-N
XLogP1.43
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-difluoro-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43088131
N-(2-bromophenyl)-2-[(1-methylimidazol-2-yl)methylamino]acetamide
CID 60694560
N-(2-methoxyphenyl)-2-[(1-methylimidazol-2-yl)methylamino]acetamide
CID 63295642
2,3-difluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 55168082
2,6-difluoro-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527510
1-(2-chloro-3-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 112652047
N-(2,6-difluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]acetamide
CID 61015248
2,6-difluoro-3-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 82818939
2-(2-fluorophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
CID 110476005
(1-methylimidazol-2-yl)methylcarbamic acid
CID 89157603
1-(2-amino-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 116597700
2-(ethylamino)-3-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 62661928

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-[(1-methylimidazol-2-yl)methylamino]acetamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-[(1-methylimidazol-2-yl)methylamino]acetamide (CID 63295828) is N-(2,6-difluorophenyl)-2-[(1-methylimidazol-2-yl)methylamino]acetamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-[(1-methylimidazol-2-yl)methylamino]acetamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-[(1-methylimidazol-2-yl)methylamino]acetamide is Cn1ccnc1CNCC(=O)Nc1c(F)cccc1F.
What is the InChIKey of N-(2,6-difluorophenyl)-2-[(1-methylimidazol-2-yl)methylamino]acetamide?
The InChIKey is HECQEYQAPYOBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N4O/c1-19-6-5-17-11(19)7-16-8-12(20)18-13-9(14)3-2-4-10(13)15/h2-6,16H,7-8H2,1H3,(H,18,20).
What are the key properties of N-(2,6-difluorophenyl)-2-[(1-methylimidazol-2-yl)methylamino]acetamide?
N-(2,6-difluorophenyl)-2-[(1-methylimidazol-2-yl)methylamino]acetamide has a molecular weight of 280.28 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-[(1-methylimidazol-2-yl)methylamino]acetamide is sourced from PubChem (CID 63295828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).