5-[(1-ethylimidazol-2-yl)methylamino]-2-fluorobenzamide

C13H15FN4O — CID 62357763

IUPAC5-[(1-ethylimidazol-2-yl)methylamino]-2-fluorobenzamide
SMILESCCn1ccnc1CNc1ccc(F)c(C(N)=O)c1
InChIInChI=1S/C13H15FN4O/c1-2-18-6-5-16-12(18)8-17-9-3-4-11(14)10(7-9)13(15)19/h3-7,17H,2,8H2,1H3,(H2,15,19)
InChIKeyNNLYYWRIHHIZFN-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.75
Rot. Bonds5

About 5-[(1-ethylimidazol-2-yl)methylamino]-2-fluorobenzamide

5-[(1-ethylimidazol-2-yl)methylamino]-2-fluorobenzamide (PubChem CID 62357763) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 5-[(1-ethylimidazol-2-yl)methylamino]-2-fluorobenzamide.

Molecular Properties

Compound Name5-[(1-ethylimidazol-2-yl)methylamino]-2-fluorobenzamide
PubChem CID62357763
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name5-[(1-ethylimidazol-2-yl)methylamino]-2-fluorobenzamide
SMILESCCn1ccnc1CNc1ccc(F)c(C(N)=O)c1
InChIInChI=1S/C13H15FN4O/c1-2-18-6-5-16-12(18)8-17-9-3-4-11(14)10(7-9)13(15)19/h3-7,17H,2,8H2,1H3,(H2,15,19)
InChIKeyNNLYYWRIHHIZFN-UHFFFAOYSA-N
XLogP1.75
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[(1-ethylimidazol-2-yl)methyl]-4-fluoroaniline
CID 115693757
4-chloro-3-[(1-ethylimidazol-2-yl)methylamino]benzamide
CID 62356563
1-[4-[(1-ethylimidazol-2-yl)methylamino]phenyl]-3-methylurea
CID 62349759
4-fluoro-N-[(1-propylimidazol-2-yl)methyl]-3-(trifluoromethyl)aniline
CID 62955979
3-chloro-N-[(1-ethylimidazol-2-yl)methyl]-4-methylaniline
CID 62357562
tert-butyl N-[4-[(1-ethylimidazol-2-yl)methylamino]phenyl]carbamate
CID 103756740
[3-[(1-ethylimidazol-2-yl)methylamino]phenyl]methanol
CID 62357927
2-fluoro-5-[(5-methyl-1H-imidazol-4-yl)methylamino]benzamide
CID 62748327
3-ethyl-N-[(1-ethylimidazol-2-yl)methyl]aniline
CID 62356031
N-[(1-ethylimidazol-2-yl)methyl]-4-methylsulfonylaniline
CID 62356891
3-fluoro-4-methyl-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 62957177
N-[(1-ethylimidazol-2-yl)methyl]-1,3-benzodioxol-5-amine
CID 62356540

Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethylimidazol-2-yl)methylamino]-2-fluorobenzamide?
The IUPAC name of 5-[(1-ethylimidazol-2-yl)methylamino]-2-fluorobenzamide (CID 62357763) is 5-[(1-ethylimidazol-2-yl)methylamino]-2-fluorobenzamide.
What is the SMILES notation for 5-[(1-ethylimidazol-2-yl)methylamino]-2-fluorobenzamide?
The canonical SMILES for 5-[(1-ethylimidazol-2-yl)methylamino]-2-fluorobenzamide is CCn1ccnc1CNc1ccc(F)c(C(N)=O)c1.
What is the InChIKey of 5-[(1-ethylimidazol-2-yl)methylamino]-2-fluorobenzamide?
The InChIKey is NNLYYWRIHHIZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c1-2-18-6-5-16-12(18)8-17-9-3-4-11(14)10(7-9)13(15)19/h3-7,17H,2,8H2,1H3,(H2,15,19).
What are the key properties of 5-[(1-ethylimidazol-2-yl)methylamino]-2-fluorobenzamide?
5-[(1-ethylimidazol-2-yl)methylamino]-2-fluorobenzamide has a molecular weight of 262.29 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethylimidazol-2-yl)methylamino]-2-fluorobenzamide is sourced from PubChem (CID 62357763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).