2-[(3-cyano-5-fluorophenyl)methylamino]-N-ethyl-N-methylpropanamide

C14H18FN3O — CID 103108873

IUPAC2-[(3-cyano-5-fluorophenyl)methylamino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NCc1cc(F)cc(C#N)c1
InChIInChI=1S/C14H18FN3O/c1-4-18(3)14(19)10(2)17-9-12-5-11(8-16)6-13(15)7-12/h5-7,10,17H,4,9H2,1-3H3
InChIKeyIDZVSUOOKITDLL-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.65
Rot. Bonds5

About 2-[(3-cyano-5-fluorophenyl)methylamino]-N-ethyl-N-methylpropanamide

2-[(3-cyano-5-fluorophenyl)methylamino]-N-ethyl-N-methylpropanamide (PubChem CID 103108873) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-[(3-cyano-5-fluorophenyl)methylamino]-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name2-[(3-cyano-5-fluorophenyl)methylamino]-N-ethyl-N-methylpropanamide
PubChem CID103108873
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name2-[(3-cyano-5-fluorophenyl)methylamino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NCc1cc(F)cc(C#N)c1
InChIInChI=1S/C14H18FN3O/c1-4-18(3)14(19)10(2)17-9-12-5-11(8-16)6-13(15)7-12/h5-7,10,17H,4,9H2,1-3H3
InChIKeyIDZVSUOOKITDLL-UHFFFAOYSA-N
XLogP1.65
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylpropanamide
CID 103108687
2-(cyanomethylamino)-N-ethyl-N-methylpropanamide
CID 103108493
N-ethyl-2-[(5-fluoro-2-hydroxyphenyl)methylamino]-N-methylpropanamide
CID 103275902
N-ethyl-2-[(5-fluoro-2-methylphenyl)methylamino]-N-methylpropanamide
CID 103108692
2-[(4-bromophenyl)methylamino]-N-ethyl-N-methylpropanamide
CID 103107208
N-ethyl-2-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-N-methylpropanamide
CID 103107033
N,N-diethyl-2-[(3,4,5-trifluorophenyl)methylamino]propanamide
CID 63051555
3-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]-5-fluorobenzonitrile
CID 103188929
2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]-N-ethyl-N-methylpropanamide
CID 103107910
N-ethyl-2-[(4-methoxy-3-methylphenyl)methylamino]-N-methylpropanamide
CID 103107281
2-(2-amino-4-cyanoanilino)-N-ethyl-N-methylpropanamide
CID 103106779
N,N-diethyl-2-[(4-fluorophenyl)methylamino]propanamide
CID 43112620

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-5-fluorophenyl)methylamino]-N-ethyl-N-methylpropanamide?
The IUPAC name of 2-[(3-cyano-5-fluorophenyl)methylamino]-N-ethyl-N-methylpropanamide (CID 103108873) is 2-[(3-cyano-5-fluorophenyl)methylamino]-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 2-[(3-cyano-5-fluorophenyl)methylamino]-N-ethyl-N-methylpropanamide?
The canonical SMILES for 2-[(3-cyano-5-fluorophenyl)methylamino]-N-ethyl-N-methylpropanamide is CCN(C)C(=O)C(C)NCc1cc(F)cc(C#N)c1.
What is the InChIKey of 2-[(3-cyano-5-fluorophenyl)methylamino]-N-ethyl-N-methylpropanamide?
The InChIKey is IDZVSUOOKITDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-4-18(3)14(19)10(2)17-9-12-5-11(8-16)6-13(15)7-12/h5-7,10,17H,4,9H2,1-3H3.
What are the key properties of 2-[(3-cyano-5-fluorophenyl)methylamino]-N-ethyl-N-methylpropanamide?
2-[(3-cyano-5-fluorophenyl)methylamino]-N-ethyl-N-methylpropanamide has a molecular weight of 263.32 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-5-fluorophenyl)methylamino]-N-ethyl-N-methylpropanamide is sourced from PubChem (CID 103108873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).