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

C20H18Cl2FN3O — CID 43077995

IUPAC3-(2,3-dichlorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
SMILESCn1ccnc1C(NC(=O)CCc1cccc(Cl)c1Cl)c1ccc(F)cc1
InChIInChI=1S/C20H18Cl2FN3O/c1-26-12-11-24-20(26)19(14-5-8-15(23)9-6-14)25-17(27)10-7-13-3-2-4-16(21)18(13)22/h2-6,8-9,11-12,19H,7,10H2,1H3,(H,25,27)
InChIKeyJHHSDFKAJCSJBK-UHFFFAOYSA-N
MW406.29 g/mol
LogP4.70
Rot. Bonds6

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

3-(2,3-dichlorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide (PubChem CID 43077995) has the molecular formula C20H18Cl2FN3O and a molecular weight of 406.29 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
PubChem CID43077995
Molecular FormulaC20H18Cl2FN3O
Molecular Weight406.29 g/mol
Exact Mass405.08
IUPAC Name3-(2,3-dichlorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
SMILESCn1ccnc1C(NC(=O)CCc1cccc(Cl)c1Cl)c1ccc(F)cc1
InChIInChI=1S/C20H18Cl2FN3O/c1-26-12-11-24-20(26)19(14-5-8-15(23)9-6-14)25-17(27)10-7-13-3-2-4-16(21)18(13)22/h2-6,8-9,11-12,19H,7,10H2,1H3,(H,25,27)
InChIKeyJHHSDFKAJCSJBK-UHFFFAOYSA-N
XLogP4.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.29
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-dimethylphenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 25339891
N-[(2,3-dichlorophenyl)methyl]-1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine
CID 166200018
2-(3,4-dichlorophenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25358319
2-(3-fluorophenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 40952505
N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 25338605
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxypropanamide
CID 110429258
3-(2,3-dimethoxyphenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 18102285
3-(4-fluorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]butanamide
CID 55925130
3-(3-chloro-4-methylphenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 24625692
2-(2,6-dimethylphenoxy)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 51260009
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylbutanamide
CID 51331957
3-(2-fluorophenyl)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 37295393

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide?
The IUPAC name of 3-(2,3-dichlorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide (CID 43077995) is 3-(2,3-dichlorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide?
The canonical SMILES for 3-(2,3-dichlorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide is Cn1ccnc1C(NC(=O)CCc1cccc(Cl)c1Cl)c1ccc(F)cc1.
What is the InChIKey of 3-(2,3-dichlorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide?
The InChIKey is JHHSDFKAJCSJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2FN3O/c1-26-12-11-24-20(26)19(14-5-8-15(23)9-6-14)25-17(27)10-7-13-3-2-4-16(21)18(13)22/h2-6,8-9,11-12,19H,7,10H2,1H3,(H,25,27).
What are the key properties of 3-(2,3-dichlorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide?
3-(2,3-dichlorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide has a molecular weight of 406.29 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide is sourced from PubChem (CID 43077995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).