N-[2-(dimethylamino)-2-methylpropyl]-2,3-difluorobenzamide

C13H18F2N2O — CID 62660764

IUPACN-[2-(dimethylamino)-2-methylpropyl]-2,3-difluorobenzamide
SMILESCN(C)C(C)(C)CNC(=O)c1cccc(F)c1F
InChIInChI=1S/C13H18F2N2O/c1-13(2,17(3)4)8-16-12(18)9-6-5-7-10(14)11(9)15/h5-7H,8H2,1-4H3,(H,16,18)
InChIKeyKHLWCBCRRKYRMR-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.03
Rot. Bonds4

About N-[2-(dimethylamino)-2-methylpropyl]-2,3-difluorobenzamide

N-[2-(dimethylamino)-2-methylpropyl]-2,3-difluorobenzamide (PubChem CID 62660764) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-methylpropyl]-2,3-difluorobenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-methylpropyl]-2,3-difluorobenzamide
PubChem CID62660764
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC NameN-[2-(dimethylamino)-2-methylpropyl]-2,3-difluorobenzamide
SMILESCN(C)C(C)(C)CNC(=O)c1cccc(F)c1F
InChIInChI=1S/C13H18F2N2O/c1-13(2,17(3)4)8-16-12(18)9-6-5-7-10(14)11(9)15/h5-7H,8H2,1-4H3,(H,16,18)
InChIKeyKHLWCBCRRKYRMR-UHFFFAOYSA-N
XLogP2.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-2,3-difluorobenzamide
CID 115365588
3-[(2,3-difluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172000
2,3-difluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79550157
N-(3,3-dimethylbutyl)-2,3-difluorobenzamide
CID 115605194
N-[2-(dimethylamino)-2-methylpropyl]-3-fluoropyridine-4-carboxamide
CID 115646224
2,3-difluoro-N-(methylaminomethyl)benzamide
CID 140814501
N-[2-(dimethylamino)-2-methylpropyl]-6-fluoropyridine-2-carboxamide
CID 115497619
2-amino-N-[2-(dimethylamino)-2-methylpropyl]-4-fluorobenzamide
CID 63110068
3-amino-N-[2-(dimethylamino)-2-methylpropyl]-2,5-difluorobenzamide
CID 107120916
2-amino-N-[2-(dimethylamino)-2-methylpropyl]-5-fluorobenzamide
CID 54979124
2,3-difluoro-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide
CID 111441795
2,3-difluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111451668

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-methylpropyl]-2,3-difluorobenzamide?
The IUPAC name of N-[2-(dimethylamino)-2-methylpropyl]-2,3-difluorobenzamide (CID 62660764) is N-[2-(dimethylamino)-2-methylpropyl]-2,3-difluorobenzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-methylpropyl]-2,3-difluorobenzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-methylpropyl]-2,3-difluorobenzamide is CN(C)C(C)(C)CNC(=O)c1cccc(F)c1F.
What is the InChIKey of N-[2-(dimethylamino)-2-methylpropyl]-2,3-difluorobenzamide?
The InChIKey is KHLWCBCRRKYRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-13(2,17(3)4)8-16-12(18)9-6-5-7-10(14)11(9)15/h5-7H,8H2,1-4H3,(H,16,18).
What are the key properties of N-[2-(dimethylamino)-2-methylpropyl]-2,3-difluorobenzamide?
N-[2-(dimethylamino)-2-methylpropyl]-2,3-difluorobenzamide has a molecular weight of 256.30 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-methylpropyl]-2,3-difluorobenzamide is sourced from PubChem (CID 62660764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).