1-cyano-N-[2-(2-fluorophenyl)ethyl]-N-methylcyclopropane-1-carboxamide

C14H15FN2O — CID 115181749

IUPAC1-cyano-N-[2-(2-fluorophenyl)ethyl]-N-methylcyclopropane-1-carboxamide
SMILESCN(CCc1ccccc1F)C(=O)C1(C#N)CC1
InChIInChI=1S/C14H15FN2O/c1-17(13(18)14(10-16)7-8-14)9-6-11-4-2-3-5-12(11)15/h2-5H,6-9H2,1H3
InChIKeyLSMNWIDJAOXLIW-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.13
Rot. Bonds4

About 1-cyano-N-[2-(2-fluorophenyl)ethyl]-N-methylcyclopropane-1-carboxamide

1-cyano-N-[2-(2-fluorophenyl)ethyl]-N-methylcyclopropane-1-carboxamide (PubChem CID 115181749) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 1-cyano-N-[2-(2-fluorophenyl)ethyl]-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[2-(2-fluorophenyl)ethyl]-N-methylcyclopropane-1-carboxamide
PubChem CID115181749
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name1-cyano-N-[2-(2-fluorophenyl)ethyl]-N-methylcyclopropane-1-carboxamide
SMILESCN(CCc1ccccc1F)C(=O)C1(C#N)CC1
InChIInChI=1S/C14H15FN2O/c1-17(13(18)14(10-16)7-8-14)9-6-11-4-2-3-5-12(11)15/h2-5H,6-9H2,1H3
InChIKeyLSMNWIDJAOXLIW-UHFFFAOYSA-N
XLogP2.13
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyano-N-methyl-N-[2-(2-methylphenyl)ethyl]cyclobutane-1-carboxamide
CID 115183394
3-cyano-N-[(2-fluorophenyl)methyl]-N-methyloxetane-3-carboxamide
CID 115184778
2-cyano-N-[2-(2-fluorophenyl)ethyl]-N-methylacetamide
CID 82127602
1-cyano-N-methyl-N-[2-(4-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115181721
1-cyano-N-[2-(3-fluorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide
CID 115183397
1-cyano-N-methyl-N-(2-pyridin-3-ylethyl)cyclopropane-1-carboxamide
CID 115181752
1-cyano-N-methyl-N-propylcyclopropane-1-carboxamide
CID 80598123
1-cyano-N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-methylcyclopropane-1-carboxamide
CID 115181731
1-cyano-N-methyl-N-(3,3,3-trifluoropropyl)cyclopropane-1-carboxamide
CID 80593205
N-[2-(2-fluorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 115158349
N-[(4-chlorophenyl)methyl]-1-cyano-N-methylcyclopropane-1-carboxamide
CID 80597882
1-amino-N-[2-(2,5-difluorophenyl)ethyl]-N-methylcyclopropane-1-carboxamide
CID 115190020

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[2-(2-fluorophenyl)ethyl]-N-methylcyclopropane-1-carboxamide?
The IUPAC name of 1-cyano-N-[2-(2-fluorophenyl)ethyl]-N-methylcyclopropane-1-carboxamide (CID 115181749) is 1-cyano-N-[2-(2-fluorophenyl)ethyl]-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[2-(2-fluorophenyl)ethyl]-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[2-(2-fluorophenyl)ethyl]-N-methylcyclopropane-1-carboxamide is CN(CCc1ccccc1F)C(=O)C1(C#N)CC1.
What is the InChIKey of 1-cyano-N-[2-(2-fluorophenyl)ethyl]-N-methylcyclopropane-1-carboxamide?
The InChIKey is LSMNWIDJAOXLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-17(13(18)14(10-16)7-8-14)9-6-11-4-2-3-5-12(11)15/h2-5H,6-9H2,1H3.
What are the key properties of 1-cyano-N-[2-(2-fluorophenyl)ethyl]-N-methylcyclopropane-1-carboxamide?
1-cyano-N-[2-(2-fluorophenyl)ethyl]-N-methylcyclopropane-1-carboxamide has a molecular weight of 246.28 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[2-(2-fluorophenyl)ethyl]-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 115181749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).