2-fluoro-N,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]benzamide

C14H16FN3O — CID 62514005

IUPAC2-fluoro-N,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
SMILESCc1ccc(F)c(C(=O)N(C)Cc2nccn2C)c1
InChIInChI=1S/C14H16FN3O/c1-10-4-5-12(15)11(8-10)14(19)18(3)9-13-16-6-7-17(13)2/h4-8H,9H2,1-3H3
InChIKeyYRJGDECKQQFNNK-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.14
Rot. Bonds3

About 2-fluoro-N,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]benzamide

2-fluoro-N,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]benzamide (PubChem CID 62514005) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 2-fluoro-N,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
PubChem CID62514005
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name2-fluoro-N,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
SMILESCc1ccc(F)c(C(=O)N(C)Cc2nccn2C)c1
InChIInChI=1S/C14H16FN3O/c1-10-4-5-12(15)11(8-10)14(19)18(3)9-13-16-6-7-17(13)2/h4-8H,9H2,1-3H3
InChIKeyYRJGDECKQQFNNK-UHFFFAOYSA-N
XLogP2.14
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 60717766
4-bromo-2-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 47120153
2,3-difluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 62662294
1-(2-fluoro-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 115784443
5-amino-2-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 61116431
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-hydroxy-N,5-dimethylbenzamide
CID 38341813
2-hydroxy-5-methoxy-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 60717793
5-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]thiophene-2-carboxylic acid
CID 60721954
N-[(3,4-dichlorophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62510958
N-methyl-4-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 81241836
N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62516506
3-bromo-2-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 103979664

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]benzamide?
The IUPAC name of 2-fluoro-N,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]benzamide (CID 62514005) is 2-fluoro-N,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for 2-fluoro-N,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]benzamide?
The canonical SMILES for 2-fluoro-N,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]benzamide is Cc1ccc(F)c(C(=O)N(C)Cc2nccn2C)c1.
What is the InChIKey of 2-fluoro-N,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]benzamide?
The InChIKey is YRJGDECKQQFNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-10-4-5-12(15)11(8-10)14(19)18(3)9-13-16-6-7-17(13)2/h4-8H,9H2,1-3H3.
What are the key properties of 2-fluoro-N,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]benzamide?
2-fluoro-N,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]benzamide has a molecular weight of 261.30 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 62514005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).