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

C18H17FN2O3 — CID 69288736

IUPAC(2S)-N-[(4-cyanophenyl)methyl]-2-(2-fluoro-4-methoxyphenyl)-2-methoxyacetamide
SMILESCOc1ccc([C@H](OC)C(=O)NCc2ccc(C#N)cc2)c(F)c1
InChIInChI=1S/C18H17FN2O3/c1-23-14-7-8-15(16(19)9-14)17(24-2)18(22)21-11-13-5-3-12(10-20)4-6-13/h3-9,17H,11H2,1-2H3,(H,21,22)/t17-/m0/s1
InChIKeyCLQDPOGWQYIEBJ-KRWDZBQOSA-N
MW328.34 g/mol
LogP2.71
Rot. Bonds6

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

(2S)-N-[(4-cyanophenyl)methyl]-2-(2-fluoro-4-methoxyphenyl)-2-methoxyacetamide (PubChem CID 69288736) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is (2S)-N-[(4-cyanophenyl)methyl]-2-(2-fluoro-4-methoxyphenyl)-2-methoxyacetamide.

Molecular Properties

Compound Name(2S)-N-[(4-cyanophenyl)methyl]-2-(2-fluoro-4-methoxyphenyl)-2-methoxyacetamide
PubChem CID69288736
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name(2S)-N-[(4-cyanophenyl)methyl]-2-(2-fluoro-4-methoxyphenyl)-2-methoxyacetamide
SMILESCOc1ccc([C@H](OC)C(=O)NCc2ccc(C#N)cc2)c(F)c1
InChIInChI=1S/C18H17FN2O3/c1-23-14-7-8-15(16(19)9-14)17(24-2)18(22)21-11-13-5-3-12(10-20)4-6-13/h3-9,17H,11H2,1-2H3,(H,21,22)/t17-/m0/s1
InChIKeyCLQDPOGWQYIEBJ-KRWDZBQOSA-N
XLogP2.71
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.71
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-propoxyacetamide
CID 69291940
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-fluoro-6-(2-trimethylsilylethynyl)phenyl]-2-methoxyacetamide
CID 69290664
3-amino-N-[(4-cyanophenyl)methyl]-2-methoxypropanamide
CID 106111827
(2S)-N-[(4-cyanophenyl)methyl]-2-[2,6-difluoro-3-(hydroxymethyl)phenyl]-2-ethoxyacetamide
CID 69290606
2-(4-cyanophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 134055001
N-[(4-cyanophenyl)methyl]-4-fluoro-3-methoxybenzamide
CID 80973356
(2S)-N-[(4-cyanophenyl)methyl]-2-(dimethylamino)-2-(2-fluorophenyl)acetamide
CID 97129161
1-[4-(4-cyanophenoxy)phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 60591596
3-[[1-(2-fluoro-4-methoxyphenyl)ethylamino]methyl]benzonitrile
CID 60918789
N-[(4-cyanophenyl)methyl]-2-[[(2R)-3-(4-ethoxyphenyl)-2-(propanoylamino)propanoyl]amino]-3-phenylpropanamide
CID 140648381
[1-(2,6-difluorophenyl)-2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] acetate
CID 3781512

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-cyanophenyl)methyl]-2-(2-fluoro-4-methoxyphenyl)-2-methoxyacetamide?
The IUPAC name of (2S)-N-[(4-cyanophenyl)methyl]-2-(2-fluoro-4-methoxyphenyl)-2-methoxyacetamide (CID 69288736) is (2S)-N-[(4-cyanophenyl)methyl]-2-(2-fluoro-4-methoxyphenyl)-2-methoxyacetamide.
What is the SMILES notation for (2S)-N-[(4-cyanophenyl)methyl]-2-(2-fluoro-4-methoxyphenyl)-2-methoxyacetamide?
The canonical SMILES for (2S)-N-[(4-cyanophenyl)methyl]-2-(2-fluoro-4-methoxyphenyl)-2-methoxyacetamide is COc1ccc([C@H](OC)C(=O)NCc2ccc(C#N)cc2)c(F)c1.
What is the InChIKey of (2S)-N-[(4-cyanophenyl)methyl]-2-(2-fluoro-4-methoxyphenyl)-2-methoxyacetamide?
The InChIKey is CLQDPOGWQYIEBJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H17FN2O3/c1-23-14-7-8-15(16(19)9-14)17(24-2)18(22)21-11-13-5-3-12(10-20)4-6-13/h3-9,17H,11H2,1-2H3,(H,21,22)/t17-/m0/s1.
What are the key properties of (2S)-N-[(4-cyanophenyl)methyl]-2-(2-fluoro-4-methoxyphenyl)-2-methoxyacetamide?
(2S)-N-[(4-cyanophenyl)methyl]-2-(2-fluoro-4-methoxyphenyl)-2-methoxyacetamide has a molecular weight of 328.34 g/mol, XLogP of 2.71, 6 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-methoxyacetamide is sourced from PubChem (CID 69288736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).