2-[(2-cyano-5-fluorophenyl)methylamino]-N-cyclopropylacetamide

C13H14FN3O — CID 107903904

IUPAC2-[(2-cyano-5-fluorophenyl)methylamino]-N-cyclopropylacetamide
SMILESN#Cc1ccc(F)cc1CNCC(=O)NC1CC1
InChIInChI=1S/C13H14FN3O/c14-11-2-1-9(6-15)10(5-11)7-16-8-13(18)17-12-3-4-12/h1-2,5,12,16H,3-4,7-8H2,(H,17,18)
InChIKeySKPFHEWTCZXJEV-UHFFFAOYSA-N
MW247.27 g/mol
LogP1.07
Rot. Bonds5

About 2-[(2-cyano-5-fluorophenyl)methylamino]-N-cyclopropylacetamide

2-[(2-cyano-5-fluorophenyl)methylamino]-N-cyclopropylacetamide (PubChem CID 107903904) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 2-[(2-cyano-5-fluorophenyl)methylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(2-cyano-5-fluorophenyl)methylamino]-N-cyclopropylacetamide
PubChem CID107903904
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name2-[(2-cyano-5-fluorophenyl)methylamino]-N-cyclopropylacetamide
SMILESN#Cc1ccc(F)cc1CNCC(=O)NC1CC1
InChIInChI=1S/C13H14FN3O/c14-11-2-1-9(6-15)10(5-11)7-16-8-13(18)17-12-3-4-12/h1-2,5,12,16H,3-4,7-8H2,(H,17,18)
InChIKeySKPFHEWTCZXJEV-UHFFFAOYSA-N
XLogP1.07
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-bromo-5-fluorophenyl)methylamino]-N-cycloheptylacetamide
CID 62575274
2-[(2,2-dicyclopropylethylamino)methyl]-4-fluorobenzonitrile
CID 107904450
4-fluoro-2-[(2-methylprop-2-enylamino)methyl]benzonitrile
CID 107904916
2-[(4-cyano-2,6-difluorophenyl)methylamino]-N-cyclopropylacetamide
CID 107037842
4-fluoro-2-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]benzonitrile
CID 107903932
2-[(cycloheptylamino)methyl]-4-fluorobenzonitrile
CID 107903846
2-[[(1-cyclopropylpyrrolidin-3-yl)methylamino]methyl]-4-fluorobenzonitrile
CID 107903968
2-(2,5-difluorophenyl)-N-(4-hydroxycyclohexyl)acetamide
CID 111470021
N-cyclopropyl-2-[(3-fluoro-2-hydroxyphenyl)methylamino]acetamide
CID 112606428
2-[[[(1R)-1-cycloheptylethyl]amino]methyl]-4-fluorobenzonitrile
CID 107904611
2-[[(3,4-dimethylcyclohexyl)amino]methyl]-4-fluorobenzonitrile
CID 107904394
2-[[(1,1-dioxothiolan-3-yl)amino]methyl]-4-fluorobenzonitrile
CID 107903650

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyano-5-fluorophenyl)methylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[(2-cyano-5-fluorophenyl)methylamino]-N-cyclopropylacetamide (CID 107903904) is 2-[(2-cyano-5-fluorophenyl)methylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(2-cyano-5-fluorophenyl)methylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(2-cyano-5-fluorophenyl)methylamino]-N-cyclopropylacetamide is N#Cc1ccc(F)cc1CNCC(=O)NC1CC1.
What is the InChIKey of 2-[(2-cyano-5-fluorophenyl)methylamino]-N-cyclopropylacetamide?
The InChIKey is SKPFHEWTCZXJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c14-11-2-1-9(6-15)10(5-11)7-16-8-13(18)17-12-3-4-12/h1-2,5,12,16H,3-4,7-8H2,(H,17,18).
What are the key properties of 2-[(2-cyano-5-fluorophenyl)methylamino]-N-cyclopropylacetamide?
2-[(2-cyano-5-fluorophenyl)methylamino]-N-cyclopropylacetamide has a molecular weight of 247.27 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyano-5-fluorophenyl)methylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 107903904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).