2-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide

C13H14FN3O — CID 61215487

IUPAC2-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
SMILESCn1ccnc1CCNC(=O)c1ccccc1F
InChIInChI=1S/C13H14FN3O/c1-17-9-8-15-12(17)6-7-16-13(18)10-4-2-3-5-11(10)14/h2-5,8-9H,6-7H2,1H3,(H,16,18)
InChIKeyUZRQXTYIJOBFRU-UHFFFAOYSA-N
MW247.27 g/mol
LogP1.53
Rot. Bonds4

About 2-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide

2-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide (PubChem CID 61215487) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 2-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
PubChem CID61215487
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name2-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
SMILESCn1ccnc1CCNC(=O)c1ccccc1F
InChIInChI=1S/C13H14FN3O/c1-17-9-8-15-12(17)6-7-16-13(18)10-4-2-3-5-11(10)14/h2-5,8-9H,6-7H2,1H3,(H,16,18)
InChIKeyUZRQXTYIJOBFRU-UHFFFAOYSA-N
XLogP1.53
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
CID 110476005
2-(ethylamino)-3-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 62661928
2-ethylsulfonyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 51102554
2,3-difluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 55168082
2-fluoro-N-[2-(1-methylpyrrol-2-yl)ethyl]benzamide
CID 21234303
5-amino-2-bromo-4-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 62814568
5-chloro-2-iodo-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 113228022
2-fluoro-N-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]benzamide
CID 53143732
N-[2-(1-methylimidazol-2-yl)ethyl]-1H-indazole-3-carboxamide
CID 62040532
2-(4-chlorophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
CID 110476101
1-(2-amino-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 116597700
2,6-difluoro-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527510

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide (CID 61215487) is 2-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide is Cn1ccnc1CCNC(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide?
The InChIKey is UZRQXTYIJOBFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-17-9-8-15-12(17)6-7-16-13(18)10-4-2-3-5-11(10)14/h2-5,8-9H,6-7H2,1H3,(H,16,18).
What are the key properties of 2-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide?
2-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide has a molecular weight of 247.27 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 61215487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).