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

C14H18FN3O — CID 107904074

IUPAC2-[(2-cyano-5-fluorophenyl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCc1cc(F)ccc1C#N
InChIInChI=1S/C14H18FN3O/c1-3-6-17-14(19)10(2)18-9-12-7-13(15)5-4-11(12)8-16/h4-5,7,10,18H,3,6,9H2,1-2H3,(H,17,19)
InChIKeyJIJWBWKNERGLPR-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.70
Rot. Bonds6

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

2-[(2-cyano-5-fluorophenyl)methylamino]-N-propylpropanamide (PubChem CID 107904074) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-[(2-cyano-5-fluorophenyl)methylamino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(2-cyano-5-fluorophenyl)methylamino]-N-propylpropanamide
PubChem CID107904074
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name2-[(2-cyano-5-fluorophenyl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCc1cc(F)ccc1C#N
InChIInChI=1S/C14H18FN3O/c1-3-6-17-14(19)10(2)18-9-12-7-13(15)5-4-11(12)8-16/h4-5,7,10,18H,3,6,9H2,1-2H3,(H,17,19)
InChIKeyJIJWBWKNERGLPR-UHFFFAOYSA-N
XLogP1.70
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2-[(pentan-2-ylamino)methyl]benzonitrile
CID 107903665
2-[(2-bromo-5-fluorophenyl)methylamino]-N-butylpropanamide
CID 54902468
2-[(4-cyano-2,6-difluorophenyl)methylamino]-N-propylpropanamide
CID 107037878
N-propyl-2-[(2,4,5-trimethylphenyl)methylamino]propanamide
CID 43221811
2-[(5-cyano-2-fluorophenyl)methylamino]-N-ethylpropanamide
CID 54953624
2-[(1-cyclopropylpropan-2-ylamino)methyl]-4-fluorobenzonitrile
CID 107904345
4-fluoro-2-[(1-methylsulfonylpropan-2-ylamino)methyl]benzonitrile
CID 107904386
4-fluoro-2-[(1-phenylethylamino)methyl]benzonitrile
CID 103912525
2-[[[(1R)-1-cycloheptylethyl]amino]methyl]-4-fluorobenzonitrile
CID 107904611
4-fluoro-2-[[1-(5-methylfuran-2-yl)ethylamino]methyl]benzonitrile
CID 104578483
2-[(4-cyano-3-methoxyphenyl)methylamino]-N-ethylpropanamide
CID 106787249
(2R)-2-[(5-fluoro-2-methylphenyl)methylamino]-N-methylpropanamide
CID 103944137

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyano-5-fluorophenyl)methylamino]-N-propylpropanamide?
The IUPAC name of 2-[(2-cyano-5-fluorophenyl)methylamino]-N-propylpropanamide (CID 107904074) is 2-[(2-cyano-5-fluorophenyl)methylamino]-N-propylpropanamide.
What is the SMILES notation for 2-[(2-cyano-5-fluorophenyl)methylamino]-N-propylpropanamide?
The canonical SMILES for 2-[(2-cyano-5-fluorophenyl)methylamino]-N-propylpropanamide is CCCNC(=O)C(C)NCc1cc(F)ccc1C#N.
What is the InChIKey of 2-[(2-cyano-5-fluorophenyl)methylamino]-N-propylpropanamide?
The InChIKey is JIJWBWKNERGLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-3-6-17-14(19)10(2)18-9-12-7-13(15)5-4-11(12)8-16/h4-5,7,10,18H,3,6,9H2,1-2H3,(H,17,19).
What are the key properties of 2-[(2-cyano-5-fluorophenyl)methylamino]-N-propylpropanamide?
2-[(2-cyano-5-fluorophenyl)methylamino]-N-propylpropanamide has a molecular weight of 263.32 g/mol, XLogP of 1.70, 6 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-propylpropanamide is sourced from PubChem (CID 107904074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).