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

C14H17F2N3O — CID 107037878

IUPAC2-[(4-cyano-2,6-difluorophenyl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCc1c(F)cc(C#N)cc1F
InChIInChI=1S/C14H17F2N3O/c1-3-4-18-14(20)9(2)19-8-11-12(15)5-10(7-17)6-13(11)16/h5-6,9,19H,3-4,8H2,1-2H3,(H,18,20)
InChIKeyUHQPDDOMZKRUOP-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.84
Rot. Bonds6

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

2-[(4-cyano-2,6-difluorophenyl)methylamino]-N-propylpropanamide (PubChem CID 107037878) has the molecular formula C14H17F2N3O and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[(4-cyano-2,6-difluorophenyl)methylamino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(4-cyano-2,6-difluorophenyl)methylamino]-N-propylpropanamide
PubChem CID107037878
Molecular FormulaC14H17F2N3O
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name2-[(4-cyano-2,6-difluorophenyl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCc1c(F)cc(C#N)cc1F
InChIInChI=1S/C14H17F2N3O/c1-3-4-18-14(20)9(2)19-8-11-12(15)5-10(7-17)6-13(11)16/h5-6,9,19H,3-4,8H2,1-2H3,(H,18,20)
InChIKeyUHQPDDOMZKRUOP-UHFFFAOYSA-N
XLogP1.84
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(4-cyano-2,6-difluorophenyl)methylamino]propanoate
CID 107038183
N-propyl-2-[(3,4,5-trifluorophenyl)methylamino]propanamide
CID 63050518
2-[(2-cyano-5-fluorophenyl)methylamino]-N-propylpropanamide
CID 107904074
3-[(4-cyano-2,6-difluorophenyl)methylamino]butanamide
CID 107038987
2-[(5-cyano-2-fluorophenyl)methylamino]-N-ethylpropanamide
CID 54953624
N-propyl-2-[(2,4,6-trimethylphenyl)methylamino]propanamide
CID 43221777
2-[(3-fluoro-4-methylphenyl)methylamino]-N-propylpropanamide
CID 60702818
methyl 2-[(4-cyano-2,6-difluorophenyl)methylamino]-4-methylpentanoate
CID 107037890
N-butyl-2-[(4-cyanophenyl)methylamino]propanamide
CID 54936803
2-[(3-bromo-4-fluorophenyl)methylamino]-N-propylpropanamide
CID 43221804
2-[(2-cyano-4-pyridinyl)methylamino]-N-propylpropanamide
CID 63883092
4-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]-3,5-difluorobenzonitrile
CID 107038179

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyano-2,6-difluorophenyl)methylamino]-N-propylpropanamide?
The IUPAC name of 2-[(4-cyano-2,6-difluorophenyl)methylamino]-N-propylpropanamide (CID 107037878) is 2-[(4-cyano-2,6-difluorophenyl)methylamino]-N-propylpropanamide.
What is the SMILES notation for 2-[(4-cyano-2,6-difluorophenyl)methylamino]-N-propylpropanamide?
The canonical SMILES for 2-[(4-cyano-2,6-difluorophenyl)methylamino]-N-propylpropanamide is CCCNC(=O)C(C)NCc1c(F)cc(C#N)cc1F.
What is the InChIKey of 2-[(4-cyano-2,6-difluorophenyl)methylamino]-N-propylpropanamide?
The InChIKey is UHQPDDOMZKRUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O/c1-3-4-18-14(20)9(2)19-8-11-12(15)5-10(7-17)6-13(11)16/h5-6,9,19H,3-4,8H2,1-2H3,(H,18,20).
What are the key properties of 2-[(4-cyano-2,6-difluorophenyl)methylamino]-N-propylpropanamide?
2-[(4-cyano-2,6-difluorophenyl)methylamino]-N-propylpropanamide has a molecular weight of 281.31 g/mol, XLogP of 1.84, 6 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-propylpropanamide is sourced from PubChem (CID 107037878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).