N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide

C20H20FN3O — CID 25338605

IUPACN-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)N[C@@H](c1ccc(F)cc1)c1nccn1C
InChIInChI=1S/C20H20FN3O/c1-14-5-3-4-6-16(14)13-18(25)23-19(20-22-11-12-24(20)2)15-7-9-17(21)10-8-15/h3-12,19H,13H2,1-2H3,(H,23,25)/t19-/m0/s1
InChIKeyLCNOYQGCPKQVTM-IBGZPJMESA-N
MW337.40 g/mol
LogP3.32
Rot. Bonds5

About N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide

N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide (PubChem CID 25338605) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide
PubChem CID25338605
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC NameN-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)N[C@@H](c1ccc(F)cc1)c1nccn1C
InChIInChI=1S/C20H20FN3O/c1-14-5-3-4-6-16(14)13-18(25)23-19(20-22-11-12-24(20)2)15-7-9-17(21)10-8-15/h3-12,19H,13H2,1-2H3,(H,23,25)/t19-/m0/s1
InChIKeyLCNOYQGCPKQVTM-IBGZPJMESA-N
XLogP3.32
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 25405660
2-(2,6-dimethylphenoxy)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 51260009
2-(3-fluorophenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 40952505
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(1H-indol-3-yl)acetamide
CID 25339759
2-(3,4-dichlorophenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25358319
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 25371569
3-(4-fluorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]butanamide
CID 55925130
3-(2,3-dichlorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 43077995
3-(2,4-dimethylphenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 25339891
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylbutanamide
CID 51331957
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxypropanamide
CID 110429258
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 55521199

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide (CID 25338605) is N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)N[C@@H](c1ccc(F)cc1)c1nccn1C.
What is the InChIKey of N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide?
The InChIKey is LCNOYQGCPKQVTM-IBGZPJMESA-N. The full InChI is InChI=1S/C20H20FN3O/c1-14-5-3-4-6-16(14)13-18(25)23-19(20-22-11-12-24(20)2)15-7-9-17(21)10-8-15/h3-12,19H,13H2,1-2H3,(H,23,25)/t19-/m0/s1.
What are the key properties of N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide?
N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide has a molecular weight of 337.40 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 25338605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).