4-fluoro-3-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]benzamide

C15H18FN3O3 — CID 91773799

IUPAC4-fluoro-3-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]benzamide
SMILESCOCCn1cncc1CNC(=O)c1ccc(F)c(OC)c1
InChIInChI=1S/C15H18FN3O3/c1-21-6-5-19-10-17-8-12(19)9-18-15(20)11-3-4-13(16)14(7-11)22-2/h3-4,7-8,10H,5-6,9H2,1-2H3,(H,18,20)
InChIKeyZSIGSFXXRIMLMZ-UHFFFAOYSA-N
MW307.33 g/mol
LogP1.61
Rot. Bonds7

About 4-fluoro-3-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]benzamide

4-fluoro-3-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]benzamide (PubChem CID 91773799) has the molecular formula C15H18FN3O3 and a molecular weight of 307.33 g/mol. Its IUPAC name is 4-fluoro-3-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-3-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]benzamide
PubChem CID91773799
Molecular FormulaC15H18FN3O3
Molecular Weight307.33 g/mol
Exact Mass307.13
IUPAC Name4-fluoro-3-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]benzamide
SMILESCOCCn1cncc1CNC(=O)c1ccc(F)c(OC)c1
InChIInChI=1S/C15H18FN3O3/c1-21-6-5-19-10-17-8-12(19)9-18-15(20)11-3-4-13(16)14(7-11)22-2/h3-4,7-8,10H,5-6,9H2,1-2H3,(H,18,20)
InChIKeyZSIGSFXXRIMLMZ-UHFFFAOYSA-N
XLogP1.61
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-(1-methyl-6-oxopyridazin-3-yl)benzamide
CID 122563016
2-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyridine-3-carboxamide
CID 118771778
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2,3,5,6-tetramethylbenzamide
CID 46992676
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-[(3R)-piperidin-3-yl]benzamide
CID 97201129
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-propan-2-ylpyrazole-3-carboxamide
CID 119066697
4-fluoro-3-methoxy-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 81002204
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]cyclopentanecarboxamide
CID 91774846
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide
CID 146046306
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2,6-dimethylquinoline-3-carboxamide
CID 46992098
N-(2-bromoethyl)-4-fluoro-3-methoxybenzamide
CID 81284787
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2,6-dimethylquinoline-4-carboxamide
CID 50953394
2-ethylsulfanyl-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]propanamide
CID 135110031

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]benzamide?
The IUPAC name of 4-fluoro-3-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]benzamide (CID 91773799) is 4-fluoro-3-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]benzamide.
What is the SMILES notation for 4-fluoro-3-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]benzamide?
The canonical SMILES for 4-fluoro-3-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]benzamide is COCCn1cncc1CNC(=O)c1ccc(F)c(OC)c1.
What is the InChIKey of 4-fluoro-3-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]benzamide?
The InChIKey is ZSIGSFXXRIMLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O3/c1-21-6-5-19-10-17-8-12(19)9-18-15(20)11-3-4-13(16)14(7-11)22-2/h3-4,7-8,10H,5-6,9H2,1-2H3,(H,18,20).
What are the key properties of 4-fluoro-3-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]benzamide?
4-fluoro-3-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]benzamide has a molecular weight of 307.33 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]benzamide is sourced from PubChem (CID 91773799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).