5-amino-N-(2-cyanoethyl)-2,4-difluoro-N-(2-methylpropyl)benzamide

C14H17F2N3O — CID 61115858

IUPAC5-amino-N-(2-cyanoethyl)-2,4-difluoro-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(CCC#N)C(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C14H17F2N3O/c1-9(2)8-19(5-3-4-17)14(20)10-6-13(18)12(16)7-11(10)15/h6-7,9H,3,5,8,18H2,1-2H3
InChIKeyBPRNKBFYDFUBPL-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.56
Rot. Bonds5

About 5-amino-N-(2-cyanoethyl)-2,4-difluoro-N-(2-methylpropyl)benzamide

5-amino-N-(2-cyanoethyl)-2,4-difluoro-N-(2-methylpropyl)benzamide (PubChem CID 61115858) has the molecular formula C14H17F2N3O and a molecular weight of 281.31 g/mol. Its IUPAC name is 5-amino-N-(2-cyanoethyl)-2,4-difluoro-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name5-amino-N-(2-cyanoethyl)-2,4-difluoro-N-(2-methylpropyl)benzamide
PubChem CID61115858
Molecular FormulaC14H17F2N3O
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name5-amino-N-(2-cyanoethyl)-2,4-difluoro-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(CCC#N)C(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C14H17F2N3O/c1-9(2)8-19(5-3-4-17)14(20)10-6-13(18)12(16)7-11(10)15/h6-7,9H,3,5,8,18H2,1-2H3
InChIKeyBPRNKBFYDFUBPL-UHFFFAOYSA-N
XLogP2.56
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2,4-difluoro-N,N-bis(2-methylpropyl)benzamide
CID 61094085
5-amino-N-(2-amino-2-oxoethyl)-2,4-difluoro-N-(2-methylpropyl)benzamide
CID 61109173
4-bromo-N-(2-cyanoethyl)-2-fluoro-N-(2-methylpropyl)benzamide
CID 60699445
2-amino-N-(2-cyanoethyl)-3-fluoro-N-(2-methylpropyl)benzamide
CID 62662075
5-amino-N-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 61114721
5-chloro-N-(2-cyanoethyl)-2-hydroxy-N-(2-methylpropyl)benzamide
CID 60654559
4-amino-N-(2-cyanoethyl)-3-hydroxy-N-(2-methylpropyl)benzamide
CID 107074624
N-(2-cyanoethyl)-5-fluoro-N-(2-methylpropyl)-2-nitrobenzamide
CID 61050993
2-bromo-N-(2-cyanoethyl)-N-(2-methylpropyl)benzamide
CID 60654639
2-chloro-N-(2-cyanoethyl)-N-(2-methylpropyl)-5-sulfanylbenzamide
CID 107026865
4-amino-N-(2-cyanoethyl)-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide
CID 61113965
5-amino-N,N-dibutyl-2,4-difluorobenzamide
CID 61095334

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-cyanoethyl)-2,4-difluoro-N-(2-methylpropyl)benzamide?
The IUPAC name of 5-amino-N-(2-cyanoethyl)-2,4-difluoro-N-(2-methylpropyl)benzamide (CID 61115858) is 5-amino-N-(2-cyanoethyl)-2,4-difluoro-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 5-amino-N-(2-cyanoethyl)-2,4-difluoro-N-(2-methylpropyl)benzamide?
The canonical SMILES for 5-amino-N-(2-cyanoethyl)-2,4-difluoro-N-(2-methylpropyl)benzamide is CC(C)CN(CCC#N)C(=O)c1cc(N)c(F)cc1F.
What is the InChIKey of 5-amino-N-(2-cyanoethyl)-2,4-difluoro-N-(2-methylpropyl)benzamide?
The InChIKey is BPRNKBFYDFUBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O/c1-9(2)8-19(5-3-4-17)14(20)10-6-13(18)12(16)7-11(10)15/h6-7,9H,3,5,8,18H2,1-2H3.
What are the key properties of 5-amino-N-(2-cyanoethyl)-2,4-difluoro-N-(2-methylpropyl)benzamide?
5-amino-N-(2-cyanoethyl)-2,4-difluoro-N-(2-methylpropyl)benzamide has a molecular weight of 281.31 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-cyanoethyl)-2,4-difluoro-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 61115858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).