(2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide

C20H21FN4O — CID 97186840

IUPAC(2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
SMILESCN(C)[C@@H](C(=O)NCc1ccccc1-n1ccnc1)c1ccccc1F
InChIInChI=1S/C20H21FN4O/c1-24(2)19(16-8-4-5-9-17(16)21)20(26)23-13-15-7-3-6-10-18(15)25-12-11-22-14-25/h3-12,14,19H,13H2,1-2H3,(H,23,26)/t19-/m1/s1
InChIKeyAHOORDZJDZYARN-LJQANCHMSA-N
MW352.41 g/mol
LogP2.93
Rot. Bonds6

About (2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide

(2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide (PubChem CID 97186840) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is (2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide.

Molecular Properties

Compound Name(2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
PubChem CID97186840
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC Name(2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
SMILESCN(C)[C@@H](C(=O)NCc1ccccc1-n1ccnc1)c1ccccc1F
InChIInChI=1S/C20H21FN4O/c1-24(2)19(16-8-4-5-9-17(16)21)20(26)23-13-15-7-3-6-10-18(15)25-12-11-22-14-25/h3-12,14,19H,13H2,1-2H3,(H,23,26)/t19-/m1/s1
InChIKeyAHOORDZJDZYARN-LJQANCHMSA-N
XLogP2.93
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-fluorophenoxy)-N-[(2-imidazol-1-ylphenyl)methyl]butanamide
CID 92686153
3,4-difluoro-N-[2-[(2-imidazol-1-ylphenyl)methylamino]-2-oxoethyl]benzamide
CID 136578908
2-(4-chlorophenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 92680055
(2S)-2-(3-chlorophenoxy)-N-[(2-imidazol-1-ylphenyl)methyl]propanamide
CID 99957835
4-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide
CID 30394400
(2R)-2-(2-chlorophenoxy)-N-[(2-imidazol-1-ylphenyl)methyl]propanamide
CID 92685089
2-(dimethylamino)-2-(2-fluorophenyl)-N-(3-hydroxypropyl)acetamide
CID 72891697
(2S)-N-[(2-imidazol-1-ylphenyl)methyl]-2-(2-methylphenoxy)butanamide
CID 28574318
(2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide
CID 97187682
(2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[2-(N-methylanilino)ethyl]acetamide
CID 97110517
2-(2,5-dimethylphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 46771389
1-(1-hydroxy-4-methylpentan-3-yl)-3-[(2-imidazol-1-ylphenyl)methyl]urea
CID 111505245

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide?
The IUPAC name of (2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide (CID 97186840) is (2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide.
What is the SMILES notation for (2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide?
The canonical SMILES for (2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide is CN(C)[C@@H](C(=O)NCc1ccccc1-n1ccnc1)c1ccccc1F.
What is the InChIKey of (2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide?
The InChIKey is AHOORDZJDZYARN-LJQANCHMSA-N. The full InChI is InChI=1S/C20H21FN4O/c1-24(2)19(16-8-4-5-9-17(16)21)20(26)23-13-15-7-3-6-10-18(15)25-12-11-22-14-25/h3-12,14,19H,13H2,1-2H3,(H,23,26)/t19-/m1/s1.
What are the key properties of (2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide?
(2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide has a molecular weight of 352.41 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide is sourced from PubChem (CID 97186840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).