4-(aminomethyl)-N-(2,2-difluoroethyl)-N-methylbenzamide;hydrochloride

C11H15ClF2N2O — CID 119305712

IUPAC4-(aminomethyl)-N-(2,2-difluoroethyl)-N-methylbenzamide;hydrochloride
SMILESCN(CC(F)F)C(=O)c1ccc(CN)cc1.Cl
InChIInChI=1S/C11H14F2N2O.ClH/c1-15(7-10(12)13)11(16)9-4-2-8(6-14)3-5-9;/h2-5,10H,6-7,14H2,1H3;1H
InChIKeyUYZTVUWOQPBJPQ-UHFFFAOYSA-N
MW264.70 g/mol
LogP1.90
Rot. Bonds4

About 4-(aminomethyl)-N-(2,2-difluoroethyl)-N-methylbenzamide;hydrochloride

4-(aminomethyl)-N-(2,2-difluoroethyl)-N-methylbenzamide;hydrochloride (PubChem CID 119305712) has the molecular formula C11H15ClF2N2O and a molecular weight of 264.70 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2,2-difluoroethyl)-N-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2,2-difluoroethyl)-N-methylbenzamide;hydrochloride
PubChem CID119305712
Molecular FormulaC11H15ClF2N2O
Molecular Weight264.70 g/mol
Exact Mass264.08
IUPAC Name4-(aminomethyl)-N-(2,2-difluoroethyl)-N-methylbenzamide;hydrochloride
SMILESCN(CC(F)F)C(=O)c1ccc(CN)cc1.Cl
InChIInChI=1S/C11H14F2N2O.ClH/c1-15(7-10(12)13)11(16)9-4-2-8(6-14)3-5-9;/h2-5,10H,6-7,14H2,1H3;1H
InChIKeyUYZTVUWOQPBJPQ-UHFFFAOYSA-N
XLogP1.90
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.70
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(2,2-difluoroethyl)-N-methylbenzamide
CID 115611577
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4-(aminomethyl)-N-methyl-N-pentan-2-ylbenzamide
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CID 115734604
N-[[3-(aminomethyl)phenyl]methyl]-4-fluoro-N-methylbenzamide
CID 43248673
4-(aminomethyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 60937647
N-(2,2-difluoroethyl)-N-methyl-1H-indole-6-carboxamide
CID 113231691
4-(aminomethyl)-N-(1-ethylsulfonylpropan-2-yl)-N-methylbenzamide
CID 119325198
4-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide
CID 60938948
4-(aminomethyl)-N-methyl-N-[1-(4-methylphenyl)butan-2-yl]benzamide;hydrochloride
CID 75429854
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CID 120626074

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2,2-difluoroethyl)-N-methylbenzamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-(2,2-difluoroethyl)-N-methylbenzamide;hydrochloride (CID 119305712) is 4-(aminomethyl)-N-(2,2-difluoroethyl)-N-methylbenzamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-(2,2-difluoroethyl)-N-methylbenzamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-(2,2-difluoroethyl)-N-methylbenzamide;hydrochloride is CN(CC(F)F)C(=O)c1ccc(CN)cc1.Cl.
What is the InChIKey of 4-(aminomethyl)-N-(2,2-difluoroethyl)-N-methylbenzamide;hydrochloride?
The InChIKey is UYZTVUWOQPBJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O.ClH/c1-15(7-10(12)13)11(16)9-4-2-8(6-14)3-5-9;/h2-5,10H,6-7,14H2,1H3;1H.
What are the key properties of 4-(aminomethyl)-N-(2,2-difluoroethyl)-N-methylbenzamide;hydrochloride?
4-(aminomethyl)-N-(2,2-difluoroethyl)-N-methylbenzamide;hydrochloride has a molecular weight of 264.70 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2,2-difluoroethyl)-N-methylbenzamide;hydrochloride is sourced from PubChem (CID 119305712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).