N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxypropanamide

C15H18FN3O2 — CID 110429258

IUPACN-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxypropanamide
SMILESCOCCC(=O)NC(c1ccc(F)cc1)c1nccn1C
InChIInChI=1S/C15H18FN3O2/c1-19-9-8-17-15(19)14(18-13(20)7-10-21-2)11-3-5-12(16)6-4-11/h3-6,8-9,14H,7,10H2,1-2H3,(H,18,20)
InChIKeyJXUTZOLHQOASBV-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.80
Rot. Bonds6

About N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxypropanamide

N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxypropanamide (PubChem CID 110429258) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxypropanamide
PubChem CID110429258
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC NameN-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxypropanamide
SMILESCOCCC(=O)NC(c1ccc(F)cc1)c1nccn1C
InChIInChI=1S/C15H18FN3O2/c1-19-9-8-17-15(19)14(18-13(20)7-10-21-2)11-3-5-12(16)6-4-11/h3-6,8-9,14H,7,10H2,1-2H3,(H,18,20)
InChIKeyJXUTZOLHQOASBV-UHFFFAOYSA-N
XLogP1.80
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dimethylphenoxy)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 42949172
1-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(3-methoxypropyl)urea
CID 94055737
3-(4-fluorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]butanamide
CID 55925130
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 42930573
2-(3,4-dichlorophenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25358319
3-(4-chlorophenoxy)-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 51955813
N-[2-[[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]-4-methylbenzamide
CID 25358357
2-(2,6-dimethylphenoxy)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 51260009
3-(2,4-dimethylphenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 25339891
3-(2,3-dichlorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 43077995
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 25371569
N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 25338605

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxypropanamide?
The IUPAC name of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxypropanamide (CID 110429258) is N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxypropanamide.
What is the SMILES notation for N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxypropanamide?
The canonical SMILES for N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxypropanamide is COCCC(=O)NC(c1ccc(F)cc1)c1nccn1C.
What is the InChIKey of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxypropanamide?
The InChIKey is JXUTZOLHQOASBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-19-9-8-17-15(19)14(18-13(20)7-10-21-2)11-3-5-12(16)6-4-11/h3-6,8-9,14H,7,10H2,1-2H3,(H,18,20).
What are the key properties of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxypropanamide?
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxypropanamide has a molecular weight of 291.33 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxypropanamide is sourced from PubChem (CID 110429258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).