N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide;hydrochloride

C14H23ClFN3O — CID 120705142

IUPACN-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)N(CCN(C)C)Cc1ccc(F)cc1.Cl
InChIInChI=1S/C14H22FN3O.ClH/c1-16-10-14(19)18(9-8-17(2)3)11-12-4-6-13(15)7-5-12;/h4-7,16H,8-11H2,1-3H3;1H
InChIKeyYDORISHSMFCCIN-UHFFFAOYSA-N
MW303.81 g/mol
LogP1.36
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide;hydrochloride

N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide;hydrochloride (PubChem CID 120705142) has the molecular formula C14H23ClFN3O and a molecular weight of 303.81 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide;hydrochloride
PubChem CID120705142
Molecular FormulaC14H23ClFN3O
Molecular Weight303.81 g/mol
Exact Mass303.15
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)N(CCN(C)C)Cc1ccc(F)cc1.Cl
InChIInChI=1S/C14H22FN3O.ClH/c1-16-10-14(19)18(9-8-17(2)3)11-12-4-6-13(15)7-5-12;/h4-7,16H,8-11H2,1-3H3;1H
InChIKeyYDORISHSMFCCIN-UHFFFAOYSA-N
XLogP1.36
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 120703570
N-[(4-bromophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide
CID 120705145
N-benzyl-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide
CID 54869876
N-[(4-fluorophenyl)methyl]-2-(methylamino)-N-(2-pyridin-2-ylethyl)acetamide
CID 119875097
2-(methylamino)-N-[(4-methylphenyl)methyl]-N-propylacetamide
CID 60686287
N-[2-[benzyl-[2-(dimethylamino)ethyl]amino]-2-oxoethyl]-2,4-difluorobenzamide
CID 78838061
N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-methylsulfanylpropanamide
CID 60559393
N-butyl-2-(dimethylcarbamoylamino)-N-[(4-fluorophenyl)methyl]acetamide
CID 50952079
N-benzyl-2-(methylamino)-N-propylacetamide
CID 43401552
N-benzyl-N-(2-hydroxyethyl)-2-(methylamino)acetamide
CID 58786294
N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 60559272
(E)-N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-enamide
CID 60559458

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide;hydrochloride?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide;hydrochloride (CID 120705142) is N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide;hydrochloride?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide;hydrochloride is CNCC(=O)N(CCN(C)C)Cc1ccc(F)cc1.Cl.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide;hydrochloride?
The InChIKey is YDORISHSMFCCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O.ClH/c1-16-10-14(19)18(9-8-17(2)3)11-12-4-6-13(15)7-5-12;/h4-7,16H,8-11H2,1-3H3;1H.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide;hydrochloride?
N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide;hydrochloride has a molecular weight of 303.81 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide;hydrochloride is sourced from PubChem (CID 120705142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).