N-[3-[2-cyanopropyl(methyl)amino]-3-oxopropyl]-2,4-difluorobenzamide

C15H17F2N3O2 — CID 47034526

IUPACN-[3-[2-cyanopropyl(methyl)amino]-3-oxopropyl]-2,4-difluorobenzamide
SMILESCC(C#N)CN(C)C(=O)CCNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C15H17F2N3O2/c1-10(8-18)9-20(2)14(21)5-6-19-15(22)12-4-3-11(16)7-13(12)17/h3-4,7,10H,5-6,9H2,1-2H3,(H,19,22)
InChIKeyQDKBQTJGBZCZDI-UHFFFAOYSA-N
MW309.32 g/mol
LogP1.70
Rot. Bonds6

About N-[3-[2-cyanopropyl(methyl)amino]-3-oxopropyl]-2,4-difluorobenzamide

N-[3-[2-cyanopropyl(methyl)amino]-3-oxopropyl]-2,4-difluorobenzamide (PubChem CID 47034526) has the molecular formula C15H17F2N3O2 and a molecular weight of 309.32 g/mol. Its IUPAC name is N-[3-[2-cyanopropyl(methyl)amino]-3-oxopropyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[3-[2-cyanopropyl(methyl)amino]-3-oxopropyl]-2,4-difluorobenzamide
PubChem CID47034526
Molecular FormulaC15H17F2N3O2
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC NameN-[3-[2-cyanopropyl(methyl)amino]-3-oxopropyl]-2,4-difluorobenzamide
SMILESCC(C#N)CN(C)C(=O)CCNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C15H17F2N3O2/c1-10(8-18)9-20(2)14(21)5-6-19-15(22)12-4-3-11(16)7-13(12)17/h3-4,7,10H,5-6,9H2,1-2H3,(H,19,22)
InChIKeyQDKBQTJGBZCZDI-UHFFFAOYSA-N
XLogP1.70
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(2-chloro-6-fluorophenyl)methyl-methylamino]-3-oxopropyl]-2,4-difluorobenzamide
CID 18168559
2,4-difluoro-N-[4-[2-hydroxyethyl(methyl)amino]-4-oxobutyl]benzamide
CID 110886148
N-(3-cyanopropyl)-2,4-difluorobenzamide
CID 62667575
2,4-difluoro-N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide
CID 51192745
N-[3-[benzyl(cyanomethyl)amino]-3-oxopropyl]-2,4-difluorobenzamide
CID 55864480
2,4-difluoro-N-[3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-oxopropyl]benzamide
CID 29469634
2,4-difluoro-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]benzamide
CID 43039090
N-(3-bromobutyl)-2,4-difluorobenzamide
CID 114312638
N-[3-[2-(diethylamino)propylamino]-3-oxopropyl]-2,4-difluorobenzamide
CID 46447028
N-[2-(dimethylamino)-2-oxoethyl]-2,4-difluorobenzamide
CID 9480520
2,4-difluoro-N-[4-(3-methylbutylamino)-4-oxobutyl]benzamide
CID 78803699
2,4-difluoro-N-[3-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-3-oxopropyl]benzamide
CID 55766799

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-cyanopropyl(methyl)amino]-3-oxopropyl]-2,4-difluorobenzamide?
The IUPAC name of N-[3-[2-cyanopropyl(methyl)amino]-3-oxopropyl]-2,4-difluorobenzamide (CID 47034526) is N-[3-[2-cyanopropyl(methyl)amino]-3-oxopropyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[3-[2-cyanopropyl(methyl)amino]-3-oxopropyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[3-[2-cyanopropyl(methyl)amino]-3-oxopropyl]-2,4-difluorobenzamide is CC(C#N)CN(C)C(=O)CCNC(=O)c1ccc(F)cc1F.
What is the InChIKey of N-[3-[2-cyanopropyl(methyl)amino]-3-oxopropyl]-2,4-difluorobenzamide?
The InChIKey is QDKBQTJGBZCZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O2/c1-10(8-18)9-20(2)14(21)5-6-19-15(22)12-4-3-11(16)7-13(12)17/h3-4,7,10H,5-6,9H2,1-2H3,(H,19,22).
What are the key properties of N-[3-[2-cyanopropyl(methyl)amino]-3-oxopropyl]-2,4-difluorobenzamide?
N-[3-[2-cyanopropyl(methyl)amino]-3-oxopropyl]-2,4-difluorobenzamide has a molecular weight of 309.32 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-cyanopropyl(methyl)amino]-3-oxopropyl]-2,4-difluorobenzamide is sourced from PubChem (CID 47034526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).