2-(3,4-dichlorophenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide

C19H16Cl2FN3O — CID 25358319

IUPAC2-(3,4-dichlorophenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
SMILESCn1ccnc1[C@@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C19H16Cl2FN3O/c1-25-9-8-23-19(25)18(13-3-5-14(22)6-4-13)24-17(26)11-12-2-7-15(20)16(21)10-12/h2-10,18H,11H2,1H3,(H,24,26)/t18-/m0/s1
InChIKeyGXJJFJSWGNXBND-SFHVURJKSA-N
MW392.26 g/mol
LogP4.31
Rot. Bonds5

About 2-(3,4-dichlorophenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide

2-(3,4-dichlorophenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide (PubChem CID 25358319) has the molecular formula C19H16Cl2FN3O and a molecular weight of 392.26 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
PubChem CID25358319
Molecular FormulaC19H16Cl2FN3O
Molecular Weight392.26 g/mol
Exact Mass391.07
IUPAC Name2-(3,4-dichlorophenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
SMILESCn1ccnc1[C@@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C19H16Cl2FN3O/c1-25-9-8-23-19(25)18(13-3-5-14(22)6-4-13)24-17(26)11-12-2-7-15(20)16(21)10-12/h2-10,18H,11H2,1H3,(H,24,26)/t18-/m0/s1
InChIKeyGXJJFJSWGNXBND-SFHVURJKSA-N
XLogP4.31
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.26
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-(3-methoxy-4-methylphenyl)acetamide
CID 25371569
2-(4-chlorophenyl)-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 9247935
2-(3,4-dichlorophenyl)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25346268
N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 25338605
2-(4-chlorophenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 17403799
3-(4-fluorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]butanamide
CID 55925130
1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]methanesulfonamide
CID 56513263
3-(2,3-dichlorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 43077995
N-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-fluorophenyl)acetamide
CID 16675064
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxypropanamide
CID 110429258
3,5-dichloro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 46512997

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide (CID 25358319) is 2-(3,4-dichlorophenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide is Cn1ccnc1[C@@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
The InChIKey is GXJJFJSWGNXBND-SFHVURJKSA-N. The full InChI is InChI=1S/C19H16Cl2FN3O/c1-25-9-8-23-19(25)18(13-3-5-14(22)6-4-13)24-17(26)11-12-2-7-15(20)16(21)10-12/h2-10,18H,11H2,1H3,(H,24,26)/t18-/m0/s1.
What are the key properties of 2-(3,4-dichlorophenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
2-(3,4-dichlorophenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide has a molecular weight of 392.26 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide is sourced from PubChem (CID 25358319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).