(2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]acetamide

C20H20F2N4O — CID 97207538

IUPAC(2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]acetamide
SMILESCN(C)[C@@H](C(=O)NCc1cnn(-c2ccc(F)cc2)c1)c1ccc(F)cc1
InChIInChI=1S/C20H20F2N4O/c1-25(2)19(15-3-5-16(21)6-4-15)20(27)23-11-14-12-24-26(13-14)18-9-7-17(22)8-10-18/h3-10,12-13,19H,11H2,1-2H3,(H,23,27)/t19-/m1/s1
InChIKeyNPXHKNOACLUBBL-LJQANCHMSA-N
MW370.40 g/mol
LogP3.07
Rot. Bonds6

About (2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]acetamide

(2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]acetamide (PubChem CID 97207538) has the molecular formula C20H20F2N4O and a molecular weight of 370.40 g/mol. Its IUPAC name is (2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]acetamide.

Molecular Properties

Compound Name(2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]acetamide
PubChem CID97207538
Molecular FormulaC20H20F2N4O
Molecular Weight370.40 g/mol
Exact Mass370.16
IUPAC Name(2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]acetamide
SMILESCN(C)[C@@H](C(=O)NCc1cnn(-c2ccc(F)cc2)c1)c1ccc(F)cc1
InChIInChI=1S/C20H20F2N4O/c1-25(2)19(15-3-5-16(21)6-4-15)20(27)23-11-14-12-24-26(13-14)18-9-7-17(22)8-10-18/h3-10,12-13,19H,11H2,1-2H3,(H,23,27)/t19-/m1/s1
InChIKeyNPXHKNOACLUBBL-LJQANCHMSA-N
XLogP3.07
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]acetamide
CID 97203341
N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide
CID 72908654
1-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]propan-2-ol
CID 110931852
2-(dimethylamino)-2-(4-fluorophenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide
CID 72860295
N-(4-fluorophenyl)-4-[4-[(propanoylamino)methyl]pyrazol-1-yl]benzamide
CID 53161690
N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-(dimethylamino)-2-(4-fluorophenyl)acetamide
CID 72870160
(1S,3S,4S)-3-amino-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-hydroxycyclopentane-1-carboxamide
CID 154818179
(2R)-2-amino-3-methyl-N-[(1-phenylpyrazol-4-yl)methyl]butanamide
CID 79012304
(2R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide
CID 97207810
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-3-(2-phenylpropyl)-1,2-oxazole-5-carboxamide
CID 45180251
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 156584726
2-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]-4-methylpentan-1-ol
CID 110931861

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]acetamide?
The IUPAC name of (2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]acetamide (CID 97207538) is (2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]acetamide.
What is the SMILES notation for (2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]acetamide?
The canonical SMILES for (2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]acetamide is CN(C)[C@@H](C(=O)NCc1cnn(-c2ccc(F)cc2)c1)c1ccc(F)cc1.
What is the InChIKey of (2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]acetamide?
The InChIKey is NPXHKNOACLUBBL-LJQANCHMSA-N. The full InChI is InChI=1S/C20H20F2N4O/c1-25(2)19(15-3-5-16(21)6-4-15)20(27)23-11-14-12-24-26(13-14)18-9-7-17(22)8-10-18/h3-10,12-13,19H,11H2,1-2H3,(H,23,27)/t19-/m1/s1.
What are the key properties of (2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]acetamide?
(2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]acetamide has a molecular weight of 370.40 g/mol, XLogP of 3.07, 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-(4-fluorophenyl)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]acetamide is sourced from PubChem (CID 97207538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).