N-(1-aminopropan-2-yl)-2,6-difluoro-N,3-dimethylbenzamide

C12H16F2N2O — CID 113426493

IUPACN-(1-aminopropan-2-yl)-2,6-difluoro-N,3-dimethylbenzamide
SMILESCc1ccc(F)c(C(=O)N(C)C(C)CN)c1F
InChIInChI=1S/C12H16F2N2O/c1-7-4-5-9(13)10(11(7)14)12(17)16(3)8(2)6-15/h4-5,8H,6,15H2,1-3H3
InChIKeyUUEYNZWTFIDDIT-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.69
Rot. Bonds3

About N-(1-aminopropan-2-yl)-2,6-difluoro-N,3-dimethylbenzamide

N-(1-aminopropan-2-yl)-2,6-difluoro-N,3-dimethylbenzamide (PubChem CID 113426493) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-2,6-difluoro-N,3-dimethylbenzamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-2,6-difluoro-N,3-dimethylbenzamide
PubChem CID113426493
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC NameN-(1-aminopropan-2-yl)-2,6-difluoro-N,3-dimethylbenzamide
SMILESCc1ccc(F)c(C(=O)N(C)C(C)CN)c1F
InChIInChI=1S/C12H16F2N2O/c1-7-4-5-9(13)10(11(7)14)12(17)16(3)8(2)6-15/h4-5,8H,6,15H2,1-3H3
InChIKeyUUEYNZWTFIDDIT-UHFFFAOYSA-N
XLogP1.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-amino-4-sulfanylidenebutan-2-yl)-2,6-difluoro-N,3-dimethylbenzamide
CID 82814886
N-(2-chloroethyl)-2,6-difluoro-3-methyl-N-propan-2-ylbenzamide
CID 82816222
N-(1-aminopropan-2-yl)-2,4-difluoro-N,5-dimethylbenzamide;hydrochloride
CID 119581694
methyl 3-[(2,6-difluoro-3-methylbenzoyl)-methylamino]-2-methylpropanoate
CID 82815569
N-butan-2-yl-2,6-difluoro-N-methyl-3-sulfamoylbenzamide
CID 63374555
N-(1-aminopropan-2-yl)-N,3,4-trimethylbenzamide;hydrochloride
CID 119584915
N-(1-aminopropan-2-yl)-3-fluoro-N,5-dimethylbenzamide;hydrochloride
CID 86780016
N-(1-aminopropan-2-yl)-3-hydroxy-N,4-dimethylbenzamide
CID 104556594
N-(2-bromoethyl)-2,6-difluoro-3-methyl-N-pentan-3-ylbenzamide
CID 82816152
N-(1-aminopropan-2-yl)-3-chloro-N,4-dimethylbenzamide
CID 119583428
N-(1-aminopropan-2-yl)-4-fluoro-3-(methanesulfonamido)-N-methylbenzamide
CID 119582618
N-(1-aminopropan-2-yl)-N,2,3-trimethylbenzamide
CID 115737352

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-2,6-difluoro-N,3-dimethylbenzamide?
The IUPAC name of N-(1-aminopropan-2-yl)-2,6-difluoro-N,3-dimethylbenzamide (CID 113426493) is N-(1-aminopropan-2-yl)-2,6-difluoro-N,3-dimethylbenzamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-2,6-difluoro-N,3-dimethylbenzamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-2,6-difluoro-N,3-dimethylbenzamide is Cc1ccc(F)c(C(=O)N(C)C(C)CN)c1F.
What is the InChIKey of N-(1-aminopropan-2-yl)-2,6-difluoro-N,3-dimethylbenzamide?
The InChIKey is UUEYNZWTFIDDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-7-4-5-9(13)10(11(7)14)12(17)16(3)8(2)6-15/h4-5,8H,6,15H2,1-3H3.
What are the key properties of N-(1-aminopropan-2-yl)-2,6-difluoro-N,3-dimethylbenzamide?
N-(1-aminopropan-2-yl)-2,6-difluoro-N,3-dimethylbenzamide has a molecular weight of 242.27 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-2,6-difluoro-N,3-dimethylbenzamide is sourced from PubChem (CID 113426493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).