2-cyano-N-[2-(2-fluorophenyl)ethyl]-N-methylacetamide

C12H13FN2O — CID 82127602

IUPAC2-cyano-N-[2-(2-fluorophenyl)ethyl]-N-methylacetamide
SMILESCN(CCc1ccccc1F)C(=O)CC#N
InChIInChI=1S/C12H13FN2O/c1-15(12(16)6-8-14)9-7-10-4-2-3-5-11(10)13/h2-5H,6-7,9H2,1H3
InChIKeyRUDHRWKJUXZGCB-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.74
Rot. Bonds4

About 2-cyano-N-[2-(2-fluorophenyl)ethyl]-N-methylacetamide

2-cyano-N-[2-(2-fluorophenyl)ethyl]-N-methylacetamide (PubChem CID 82127602) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-cyano-N-[2-(2-fluorophenyl)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-cyano-N-[2-(2-fluorophenyl)ethyl]-N-methylacetamide
PubChem CID82127602
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name2-cyano-N-[2-(2-fluorophenyl)ethyl]-N-methylacetamide
SMILESCN(CCc1ccccc1F)C(=O)CC#N
InChIInChI=1S/C12H13FN2O/c1-15(12(16)6-8-14)9-7-10-4-2-3-5-11(10)13/h2-5H,6-7,9H2,1H3
InChIKeyRUDHRWKJUXZGCB-UHFFFAOYSA-N
XLogP1.74
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-N-[2-(2,5-difluorophenyl)ethyl]-N-methylacetamide
CID 115173346
5-[2-(2-fluorophenyl)ethyl-methylamino]-5-oxopentanoic acid
CID 94695505
1-cyano-N-[2-(2-fluorophenyl)ethyl]-N-methylcyclopropane-1-carboxamide
CID 115181749
N-[2-(2-fluorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 115158349
4-amino-N-[2-(2-fluorophenyl)ethyl]-N,3,3-trimethylbutanamide
CID 115157456
3-[2-(2-fluorophenyl)ethyl-methylamino]propanoic acid
CID 94259708
2-cyano-N-methyl-N-(naphthalen-1-ylmethyl)acetamide
CID 115173236
N-[2-(2-fluorophenyl)ethyl]-2-(hydroxymethyl)-N,3-dimethylbutanamide
CID 115187422
2-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]-N-methylbutanamide
CID 115187094
2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 113164185
2-cyano-N-methyl-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide
CID 82130384
2-[2-(2-fluorophenyl)ethyl-methylamino]-2-methylpropanoic acid
CID 115128165

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-(2-fluorophenyl)ethyl]-N-methylacetamide?
The IUPAC name of 2-cyano-N-[2-(2-fluorophenyl)ethyl]-N-methylacetamide (CID 82127602) is 2-cyano-N-[2-(2-fluorophenyl)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-cyano-N-[2-(2-fluorophenyl)ethyl]-N-methylacetamide?
The canonical SMILES for 2-cyano-N-[2-(2-fluorophenyl)ethyl]-N-methylacetamide is CN(CCc1ccccc1F)C(=O)CC#N.
What is the InChIKey of 2-cyano-N-[2-(2-fluorophenyl)ethyl]-N-methylacetamide?
The InChIKey is RUDHRWKJUXZGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-15(12(16)6-8-14)9-7-10-4-2-3-5-11(10)13/h2-5H,6-7,9H2,1H3.
What are the key properties of 2-cyano-N-[2-(2-fluorophenyl)ethyl]-N-methylacetamide?
2-cyano-N-[2-(2-fluorophenyl)ethyl]-N-methylacetamide has a molecular weight of 220.25 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-(2-fluorophenyl)ethyl]-N-methylacetamide is sourced from PubChem (CID 82127602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).