3-(2-fluorophenyl)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide

C20H19F2N3O — CID 37295393

IUPAC3-(2-fluorophenyl)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
SMILESCn1ccnc1[C@@H](NC(=O)CCc1ccccc1F)c1ccccc1F
InChIInChI=1S/C20H19F2N3O/c1-25-13-12-23-20(25)19(15-7-3-5-9-17(15)22)24-18(26)11-10-14-6-2-4-8-16(14)21/h2-9,12-13,19H,10-11H2,1H3,(H,24,26)/t19-/m0/s1
InChIKeyISLNKXGSLBWRKW-IBGZPJMESA-N
MW355.39 g/mol
LogP3.54
Rot. Bonds6

About 3-(2-fluorophenyl)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide

3-(2-fluorophenyl)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide (PubChem CID 37295393) has the molecular formula C20H19F2N3O and a molecular weight of 355.39 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
PubChem CID37295393
Molecular FormulaC20H19F2N3O
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name3-(2-fluorophenyl)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
SMILESCn1ccnc1[C@@H](NC(=O)CCc1ccccc1F)c1ccccc1F
InChIInChI=1S/C20H19F2N3O/c1-25-13-12-23-20(25)19(15-7-3-5-9-17(15)22)24-18(26)11-10-14-6-2-4-8-16(14)21/h2-9,12-13,19H,10-11H2,1H3,(H,24,26)/t19-/m0/s1
InChIKeyISLNKXGSLBWRKW-IBGZPJMESA-N
XLogP3.54
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-N-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 40953992
2-(2,6-dichlorophenyl)-N-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25325328
2-(3,4-dichlorophenyl)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25346268
3-amino-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]butanamide;dihydrochloride
CID 119837361
2-(2-fluorophenoxy)-N-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25352041
3-(3,4-dimethylphenyl)sulfanyl-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 18207516
1-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2S)-4-phenylbutan-2-yl]urea
CID 36508070
2-(2,6-dimethylphenoxy)-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 17417006
1-[(1R)-1-(2-fluorophenyl)ethyl]-3-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 36517557
N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 42923197
2-(3,4-difluorophenyl)sulfanyl-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 18102508
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 46528242

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide (CID 37295393) is 3-(2-fluorophenyl)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide is Cn1ccnc1[C@@H](NC(=O)CCc1ccccc1F)c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide?
The InChIKey is ISLNKXGSLBWRKW-IBGZPJMESA-N. The full InChI is InChI=1S/C20H19F2N3O/c1-25-13-12-23-20(25)19(15-7-3-5-9-17(15)22)24-18(26)11-10-14-6-2-4-8-16(14)21/h2-9,12-13,19H,10-11H2,1H3,(H,24,26)/t19-/m0/s1.
What are the key properties of 3-(2-fluorophenyl)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide?
3-(2-fluorophenyl)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide has a molecular weight of 355.39 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide is sourced from PubChem (CID 37295393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).