(2R)-N-(4-fluorophenyl)-2-phenyl-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylamino]acetamide

C26H28FN3O — CID 41099183

IUPAC(2R)-N-(4-fluorophenyl)-2-phenyl-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylamino]acetamide
SMILESO=C(Nc1ccc(F)cc1)[C@H](NCc1ccc(CN2CCCC2)cc1)c1ccccc1
InChIInChI=1S/C26H28FN3O/c27-23-12-14-24(15-13-23)29-26(31)25(22-6-2-1-3-7-22)28-18-20-8-10-21(11-9-20)19-30-16-4-5-17-30/h1-3,6-15,25,28H,4-5,16-19H2,(H,29,31)/t25-/m1/s1
InChIKeyPSFJIJNVBUGJGH-RUZDIDTESA-N
MW417.53 g/mol
LogP4.89
Rot. Bonds8

About (2R)-N-(4-fluorophenyl)-2-phenyl-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylamino]acetamide

(2R)-N-(4-fluorophenyl)-2-phenyl-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylamino]acetamide (PubChem CID 41099183) has the molecular formula C26H28FN3O and a molecular weight of 417.53 g/mol. Its IUPAC name is (2R)-N-(4-fluorophenyl)-2-phenyl-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylamino]acetamide.

Molecular Properties

Compound Name(2R)-N-(4-fluorophenyl)-2-phenyl-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylamino]acetamide
PubChem CID41099183
Molecular FormulaC26H28FN3O
Molecular Weight417.53 g/mol
Exact Mass417.22
IUPAC Name(2R)-N-(4-fluorophenyl)-2-phenyl-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylamino]acetamide
SMILESO=C(Nc1ccc(F)cc1)[C@H](NCc1ccc(CN2CCCC2)cc1)c1ccccc1
InChIInChI=1S/C26H28FN3O/c27-23-12-14-24(15-13-23)29-26(31)25(22-6-2-1-3-7-22)28-18-20-8-10-21(11-9-20)19-30-16-4-5-17-30/h1-3,6-15,25,28H,4-5,16-19H2,(H,29,31)/t25-/m1/s1
InChIKeyPSFJIJNVBUGJGH-RUZDIDTESA-N
XLogP4.89
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-difluoro-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 103602575
(2R)-2-(benzylamino)-N,2-diphenylacetamide
CID 101449959
(2S)-2-(1,3-benzodioxol-5-ylmethylamino)-N-(4-fluorophenyl)-2-phenylacetamide
CID 2412890
2-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]carbamoylamino]-N,2-diphenylacetamide
CID 55912566
(2R)-1-(1H-indol-3-yl)-2-phenyl-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethanone
CID 31444734
2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-N-(4-fluorophenyl)-2-phenylacetamide
CID 17448543
2-(4-fluoroanilino)-N-(4-fluorophenyl)-2-phenylacetamide
CID 46799428
2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 935195
(2S)-2-anilino-N-(4-fluorophenyl)-2-phenylacetamide
CID 7830464
2-[[(1R)-2-methyl-1-phenylpropyl]amino]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 9133103
2-(4-benzylpiperazin-1-yl)-N-(4-fluorophenyl)acetamide
CID 847262
2-[(4-nitrophenyl)methylamino]-N,2-diphenylacetamide
CID 60542252

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-fluorophenyl)-2-phenyl-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylamino]acetamide?
The IUPAC name of (2R)-N-(4-fluorophenyl)-2-phenyl-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylamino]acetamide (CID 41099183) is (2R)-N-(4-fluorophenyl)-2-phenyl-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylamino]acetamide.
What is the SMILES notation for (2R)-N-(4-fluorophenyl)-2-phenyl-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylamino]acetamide?
The canonical SMILES for (2R)-N-(4-fluorophenyl)-2-phenyl-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylamino]acetamide is O=C(Nc1ccc(F)cc1)[C@H](NCc1ccc(CN2CCCC2)cc1)c1ccccc1.
What is the InChIKey of (2R)-N-(4-fluorophenyl)-2-phenyl-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylamino]acetamide?
The InChIKey is PSFJIJNVBUGJGH-RUZDIDTESA-N. The full InChI is InChI=1S/C26H28FN3O/c27-23-12-14-24(15-13-23)29-26(31)25(22-6-2-1-3-7-22)28-18-20-8-10-21(11-9-20)19-30-16-4-5-17-30/h1-3,6-15,25,28H,4-5,16-19H2,(H,29,31)/t25-/m1/s1.
What are the key properties of (2R)-N-(4-fluorophenyl)-2-phenyl-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylamino]acetamide?
(2R)-N-(4-fluorophenyl)-2-phenyl-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylamino]acetamide has a molecular weight of 417.53 g/mol, XLogP of 4.89, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-fluorophenyl)-2-phenyl-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylamino]acetamide is sourced from PubChem (CID 41099183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).