N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-(2-methoxyethylamino)acetamide

C15H20FN3O2 — CID 79272052

IUPACN-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-(2-methoxyethylamino)acetamide
SMILESCCN(Cc1ccc(C#N)cc1F)C(=O)CNCCOC
InChIInChI=1S/C15H20FN3O2/c1-3-19(15(20)10-18-6-7-21-2)11-13-5-4-12(9-17)8-14(13)16/h4-5,8,18H,3,6-7,10-11H2,1-2H3
InChIKeyIVACVFGNZXLXCR-UHFFFAOYSA-N
MW293.34 g/mol
LogP1.28
Rot. Bonds8

About N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-(2-methoxyethylamino)acetamide

N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-(2-methoxyethylamino)acetamide (PubChem CID 79272052) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-(2-methoxyethylamino)acetamide.

Molecular Properties

Compound NameN-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-(2-methoxyethylamino)acetamide
PubChem CID79272052
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC NameN-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-(2-methoxyethylamino)acetamide
SMILESCCN(Cc1ccc(C#N)cc1F)C(=O)CNCCOC
InChIInChI=1S/C15H20FN3O2/c1-3-19(15(20)10-18-6-7-21-2)11-13-5-4-12(9-17)8-14(13)16/h4-5,8,18H,3,6-7,10-11H2,1-2H3
InChIKeyIVACVFGNZXLXCR-UHFFFAOYSA-N
XLogP1.28
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-methoxypropanamide
CID 112685872
2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-3-methoxypropanamide
CID 81083579
5-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethylhexanamide
CID 82850013
N-[(2,6-difluorophenyl)methyl]-N-ethyl-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119767630
3-(aminomethyl)-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethylpentanamide
CID 81083740
2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-methylpropanamide
CID 61265040
N-[(2-chlorophenyl)methyl]-N-ethyl-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119723037
(2S)-2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-3-methylpentanamide
CID 61174450
(2R)-2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-3-methylbutanamide
CID 79012793
(2R)-2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethylpentanamide
CID 107568965
4-[[butan-2-yl(2-methoxyethyl)amino]methyl]-3-fluorobenzonitrile
CID 54942311
N-[(2-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide
CID 78914133

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-(2-methoxyethylamino)acetamide?
The IUPAC name of N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-(2-methoxyethylamino)acetamide (CID 79272052) is N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-(2-methoxyethylamino)acetamide.
What is the SMILES notation for N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-(2-methoxyethylamino)acetamide?
The canonical SMILES for N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-(2-methoxyethylamino)acetamide is CCN(Cc1ccc(C#N)cc1F)C(=O)CNCCOC.
What is the InChIKey of N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-(2-methoxyethylamino)acetamide?
The InChIKey is IVACVFGNZXLXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2/c1-3-19(15(20)10-18-6-7-21-2)11-13-5-4-12(9-17)8-14(13)16/h4-5,8,18H,3,6-7,10-11H2,1-2H3.
What are the key properties of N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-(2-methoxyethylamino)acetamide?
N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-(2-methoxyethylamino)acetamide has a molecular weight of 293.34 g/mol, XLogP of 1.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-(2-methoxyethylamino)acetamide is sourced from PubChem (CID 79272052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).