(2S)-N-[(4-cyanophenyl)methyl]-2-(2-fluoro-4-methoxyphenyl)-2-propoxyacetamide

C20H21FN2O3 — CID 69291940

IUPAC(2S)-N-[(4-cyanophenyl)methyl]-2-(2-fluoro-4-methoxyphenyl)-2-propoxyacetamide
SMILESCCCO[C@H](C(=O)NCc1ccc(C#N)cc1)c1ccc(OC)cc1F
InChIInChI=1S/C20H21FN2O3/c1-3-10-26-19(17-9-8-16(25-2)11-18(17)21)20(24)23-13-15-6-4-14(12-22)5-7-15/h4-9,11,19H,3,10,13H2,1-2H3,(H,23,24)/t19-/m0/s1
InChIKeyUZYXBEMCSMCOIO-IBGZPJMESA-N
MW356.40 g/mol
LogP3.49
Rot. Bonds8

About (2S)-N-[(4-cyanophenyl)methyl]-2-(2-fluoro-4-methoxyphenyl)-2-propoxyacetamide

(2S)-N-[(4-cyanophenyl)methyl]-2-(2-fluoro-4-methoxyphenyl)-2-propoxyacetamide (PubChem CID 69291940) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is (2S)-N-[(4-cyanophenyl)methyl]-2-(2-fluoro-4-methoxyphenyl)-2-propoxyacetamide.

Molecular Properties

Compound Name(2S)-N-[(4-cyanophenyl)methyl]-2-(2-fluoro-4-methoxyphenyl)-2-propoxyacetamide
PubChem CID69291940
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Name(2S)-N-[(4-cyanophenyl)methyl]-2-(2-fluoro-4-methoxyphenyl)-2-propoxyacetamide
SMILESCCCO[C@H](C(=O)NCc1ccc(C#N)cc1)c1ccc(OC)cc1F
InChIInChI=1S/C20H21FN2O3/c1-3-10-26-19(17-9-8-16(25-2)11-18(17)21)20(24)23-13-15-6-4-14(12-22)5-7-15/h4-9,11,19H,3,10,13H2,1-2H3,(H,23,24)/t19-/m0/s1
InChIKeyUZYXBEMCSMCOIO-IBGZPJMESA-N
XLogP3.49
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(4-cyanophenyl)methyl]-2-(2-fluoro-4-methoxyphenyl)-2-methoxyacetamide
CID 69288736
(2S)-N-[(4-cyanophenyl)methyl]-2-[2,6-difluoro-3-(hydroxymethyl)phenyl]-2-ethoxyacetamide
CID 69290606
(2S)-2-(4-bromo-2-fluorophenyl)-N-[(4-carbamimidoylphenyl)methyl]-2-propoxyacetamide
CID 69288647
ethyl (NZ)-N-[amino-[4-[[[(2R)-2-(2-fluoro-4-methoxyphenyl)-2-methoxyacetyl]amino]methyl]phenyl]methylidene]carbamate
CID 10024969
(2S)-N-[(4-cyanophenyl)methyl]-2-[2,6-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-ethoxyacetamide
CID 69290673
2-(4-cyanophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 134055001
2-amino-N-[(4-cyanophenyl)methyl]butanamide
CID 60918435
N-[(4-cyanophenyl)methyl]-4-fluoro-3-methoxybenzamide
CID 80973356
3-amino-N-[(4-cyanophenyl)methyl]-2-methoxypropanamide
CID 106111827
3-fluoro-4-[(4-propoxyphenyl)methylamino]benzonitrile
CID 78916050
(2S)-N-[(4-cyanophenyl)methyl]-2-[2-fluoro-6-(2-trimethylsilylethynyl)phenyl]-2-methoxyacetamide
CID 69290664
(2S)-N-[(4-cyanophenyl)methyl]-2-(dimethylamino)-2-(2-fluorophenyl)acetamide
CID 97129161

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-cyanophenyl)methyl]-2-(2-fluoro-4-methoxyphenyl)-2-propoxyacetamide?
The IUPAC name of (2S)-N-[(4-cyanophenyl)methyl]-2-(2-fluoro-4-methoxyphenyl)-2-propoxyacetamide (CID 69291940) is (2S)-N-[(4-cyanophenyl)methyl]-2-(2-fluoro-4-methoxyphenyl)-2-propoxyacetamide.
What is the SMILES notation for (2S)-N-[(4-cyanophenyl)methyl]-2-(2-fluoro-4-methoxyphenyl)-2-propoxyacetamide?
The canonical SMILES for (2S)-N-[(4-cyanophenyl)methyl]-2-(2-fluoro-4-methoxyphenyl)-2-propoxyacetamide is CCCO[C@H](C(=O)NCc1ccc(C#N)cc1)c1ccc(OC)cc1F.
What is the InChIKey of (2S)-N-[(4-cyanophenyl)methyl]-2-(2-fluoro-4-methoxyphenyl)-2-propoxyacetamide?
The InChIKey is UZYXBEMCSMCOIO-IBGZPJMESA-N. The full InChI is InChI=1S/C20H21FN2O3/c1-3-10-26-19(17-9-8-16(25-2)11-18(17)21)20(24)23-13-15-6-4-14(12-22)5-7-15/h4-9,11,19H,3,10,13H2,1-2H3,(H,23,24)/t19-/m0/s1.
What are the key properties of (2S)-N-[(4-cyanophenyl)methyl]-2-(2-fluoro-4-methoxyphenyl)-2-propoxyacetamide?
(2S)-N-[(4-cyanophenyl)methyl]-2-(2-fluoro-4-methoxyphenyl)-2-propoxyacetamide has a molecular weight of 356.40 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-cyanophenyl)methyl]-2-(2-fluoro-4-methoxyphenyl)-2-propoxyacetamide is sourced from PubChem (CID 69291940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).