5-amino-N-(2,2-difluoroethyl)-N,2-dimethylbenzamide;hydrochloride

C11H15ClF2N2O — CID 120626074

IUPAC5-amino-N-(2,2-difluoroethyl)-N,2-dimethylbenzamide;hydrochloride
SMILESCc1ccc(N)cc1C(=O)N(C)CC(F)F.Cl
InChIInChI=1S/C11H14F2N2O.ClH/c1-7-3-4-8(14)5-9(7)11(16)15(2)6-10(12)13;/h3-5,10H,6,14H2,1-2H3;1H
InChIKeyOCLDFZMZRPWZFO-UHFFFAOYSA-N
MW264.70 g/mol
LogP2.34
Rot. Bonds3

About 5-amino-N-(2,2-difluoroethyl)-N,2-dimethylbenzamide;hydrochloride

5-amino-N-(2,2-difluoroethyl)-N,2-dimethylbenzamide;hydrochloride (PubChem CID 120626074) has the molecular formula C11H15ClF2N2O and a molecular weight of 264.70 g/mol. Its IUPAC name is 5-amino-N-(2,2-difluoroethyl)-N,2-dimethylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-amino-N-(2,2-difluoroethyl)-N,2-dimethylbenzamide;hydrochloride
PubChem CID120626074
Molecular FormulaC11H15ClF2N2O
Molecular Weight264.70 g/mol
Exact Mass264.08
IUPAC Name5-amino-N-(2,2-difluoroethyl)-N,2-dimethylbenzamide;hydrochloride
SMILESCc1ccc(N)cc1C(=O)N(C)CC(F)F.Cl
InChIInChI=1S/C11H14F2N2O.ClH/c1-7-3-4-8(14)5-9(7)11(16)15(2)6-10(12)13;/h3-5,10H,6,14H2,1-2H3;1H
InChIKeyOCLDFZMZRPWZFO-UHFFFAOYSA-N
XLogP2.34
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.70
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(cyclopropylmethyl)-N,2-dimethylbenzamide;hydrochloride
CID 120624156
5-amino-N,2-dimethyl-N-(2-methylsulfonylethyl)benzamide;hydrochloride
CID 120622618
5-amino-2-methyl-N,N-bis(2-methylpropyl)benzamide
CID 61291739
ethyl 2-[(5-amino-2-methylbenzoyl)-methylamino]acetate
CID 54969504
5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N,2-dimethylbenzamide;hydrochloride
CID 120618559
5-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2-dimethylbenzamide
CID 120643126
5-amino-N-(cyclopentylmethyl)-N,2-dimethylbenzamide
CID 63632081
5-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-(2-methylpropyl)benzamide
CID 61289863
5-amino-N,2-dimethyl-N-[2-methyl-2-(4-methylphenyl)propyl]benzamide;hydrochloride
CID 120636434
methyl 4-[(5-amino-2-methylbenzoyl)-methylamino]butanoate
CID 61290799
5-amino-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylbenzamide;hydrochloride
CID 120618208
5-amino-N,N-bis(2-hydroxyethyl)-2-methylbenzamide
CID 61289864

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,2-difluoroethyl)-N,2-dimethylbenzamide;hydrochloride?
The IUPAC name of 5-amino-N-(2,2-difluoroethyl)-N,2-dimethylbenzamide;hydrochloride (CID 120626074) is 5-amino-N-(2,2-difluoroethyl)-N,2-dimethylbenzamide;hydrochloride.
What is the SMILES notation for 5-amino-N-(2,2-difluoroethyl)-N,2-dimethylbenzamide;hydrochloride?
The canonical SMILES for 5-amino-N-(2,2-difluoroethyl)-N,2-dimethylbenzamide;hydrochloride is Cc1ccc(N)cc1C(=O)N(C)CC(F)F.Cl.
What is the InChIKey of 5-amino-N-(2,2-difluoroethyl)-N,2-dimethylbenzamide;hydrochloride?
The InChIKey is OCLDFZMZRPWZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O.ClH/c1-7-3-4-8(14)5-9(7)11(16)15(2)6-10(12)13;/h3-5,10H,6,14H2,1-2H3;1H.
What are the key properties of 5-amino-N-(2,2-difluoroethyl)-N,2-dimethylbenzamide;hydrochloride?
5-amino-N-(2,2-difluoroethyl)-N,2-dimethylbenzamide;hydrochloride has a molecular weight of 264.70 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,2-difluoroethyl)-N,2-dimethylbenzamide;hydrochloride is sourced from PubChem (CID 120626074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).