2-(2,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide

C13H13F2N3O — CID 110488866

IUPAC2-(2,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide
SMILESCn1ccnc1CNC(=O)Cc1ccc(F)cc1F
InChIInChI=1S/C13H13F2N3O/c1-18-5-4-16-12(18)8-17-13(19)6-9-2-3-10(14)7-11(9)15/h2-5,7H,6,8H2,1H3,(H,17,19)
InChIKeyJYEHOPWFILBKGI-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.56
Rot. Bonds4

About 2-(2,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide

2-(2,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide (PubChem CID 110488866) has the molecular formula C13H13F2N3O and a molecular weight of 265.26 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide
PubChem CID110488866
Molecular FormulaC13H13F2N3O
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name2-(2,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide
SMILESCn1ccnc1CNC(=O)Cc1ccc(F)cc1F
InChIInChI=1S/C13H13F2N3O/c1-18-5-4-16-12(18)8-17-13(19)6-9-2-3-10(14)7-11(9)15/h2-5,7H,6,8H2,1H3,(H,17,19)
InChIKeyJYEHOPWFILBKGI-UHFFFAOYSA-N
XLogP1.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 113304577
5-fluoro-3-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 92600014
5-chloro-2-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 63235961
2-(2-fluorophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
CID 110476005
2-[2-[(1-methylimidazol-2-yl)methylamino]-2-oxoethyl]benzoic acid
CID 104601555
2,3-difluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 55168082
1-(2,4-difluorophenyl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-2-amine
CID 79761359
4-amino-3-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 63295986
2-(1-methylimidazol-2-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 110474600
2-(4-cyanophenyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 63235692
(1-methylimidazol-2-yl)methylcarbamic acid
CID 89157603
N-(3,4-difluorophenyl)-2-(1-methylimidazol-2-yl)acetamide
CID 110474626

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(2,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide (CID 110488866) is 2-(2,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(2,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide is Cn1ccnc1CNC(=O)Cc1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide?
The InChIKey is JYEHOPWFILBKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O/c1-18-5-4-16-12(18)8-17-13(19)6-9-2-3-10(14)7-11(9)15/h2-5,7H,6,8H2,1H3,(H,17,19).
What are the key properties of 2-(2,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide?
2-(2,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide has a molecular weight of 265.26 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide is sourced from PubChem (CID 110488866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).