2-[(4-cyano-2,6-difluorophenyl)methylamino]-N-cyclopropylacetamide

C13H13F2N3O — CID 107037842

IUPAC2-[(4-cyano-2,6-difluorophenyl)methylamino]-N-cyclopropylacetamide
SMILESN#Cc1cc(F)c(CNCC(=O)NC2CC2)c(F)c1
InChIInChI=1S/C13H13F2N3O/c14-11-3-8(5-16)4-12(15)10(11)6-17-7-13(19)18-9-1-2-9/h3-4,9,17H,1-2,6-7H2,(H,18,19)
InChIKeyYKAUXZGYBIIUJP-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.20
Rot. Bonds5

About 2-[(4-cyano-2,6-difluorophenyl)methylamino]-N-cyclopropylacetamide

2-[(4-cyano-2,6-difluorophenyl)methylamino]-N-cyclopropylacetamide (PubChem CID 107037842) has the molecular formula C13H13F2N3O and a molecular weight of 265.26 g/mol. Its IUPAC name is 2-[(4-cyano-2,6-difluorophenyl)methylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(4-cyano-2,6-difluorophenyl)methylamino]-N-cyclopropylacetamide
PubChem CID107037842
Molecular FormulaC13H13F2N3O
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name2-[(4-cyano-2,6-difluorophenyl)methylamino]-N-cyclopropylacetamide
SMILESN#Cc1cc(F)c(CNCC(=O)NC2CC2)c(F)c1
InChIInChI=1S/C13H13F2N3O/c14-11-3-8(5-16)4-12(15)10(11)6-17-7-13(19)18-9-1-2-9/h3-4,9,17H,1-2,6-7H2,(H,18,19)
InChIKeyYKAUXZGYBIIUJP-UHFFFAOYSA-N
XLogP1.20
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-cyano-5-fluorophenyl)methylamino]-N-cyclopropylacetamide
CID 107903904
4-[(2-bromoprop-2-enylamino)methyl]-3,5-difluorobenzonitrile
CID 107038923
3,5-difluoro-4-[[(3-hydroxycyclohexyl)amino]methyl]benzonitrile
CID 107037997
3,5-difluoro-4-[(thiolan-3-ylmethylamino)methyl]benzonitrile
CID 107295415
4-[[(4-ethylcyclohexyl)amino]methyl]-3,5-difluorobenzonitrile
CID 107038168
4-(4-cyano-2-fluoroanilino)-N-cyclopropylbutanamide
CID 78916011
N-cyclopropyl-2-[(2,3,6-trichlorophenyl)methylamino]acetamide
CID 43434263
3,5-difluoro-4-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]benzonitrile
CID 107038139
N-cyclopropyl-2-[(3-fluoro-2-hydroxyphenyl)methylamino]acetamide
CID 112606428
3,5-difluoro-4-[[(1-hydroxycycloheptyl)methylamino]methyl]benzonitrile
CID 107038514
4-[[(4,4-dimethylcyclohexyl)amino]methyl]-3,5-difluorobenzonitrile
CID 107038446
3-[2-[(4-cyano-2,6-difluorophenyl)methylamino]ethyl]-1,1-dimethylurea
CID 107038837

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyano-2,6-difluorophenyl)methylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[(4-cyano-2,6-difluorophenyl)methylamino]-N-cyclopropylacetamide (CID 107037842) is 2-[(4-cyano-2,6-difluorophenyl)methylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(4-cyano-2,6-difluorophenyl)methylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(4-cyano-2,6-difluorophenyl)methylamino]-N-cyclopropylacetamide is N#Cc1cc(F)c(CNCC(=O)NC2CC2)c(F)c1.
What is the InChIKey of 2-[(4-cyano-2,6-difluorophenyl)methylamino]-N-cyclopropylacetamide?
The InChIKey is YKAUXZGYBIIUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O/c14-11-3-8(5-16)4-12(15)10(11)6-17-7-13(19)18-9-1-2-9/h3-4,9,17H,1-2,6-7H2,(H,18,19).
What are the key properties of 2-[(4-cyano-2,6-difluorophenyl)methylamino]-N-cyclopropylacetamide?
2-[(4-cyano-2,6-difluorophenyl)methylamino]-N-cyclopropylacetamide has a molecular weight of 265.26 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyano-2,6-difluorophenyl)methylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 107037842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).