4-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-fluoro-N-(2-methoxyethyl)benzamide

C14H20FN3O3 — CID 62681504

IUPAC4-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-fluoro-N-(2-methoxyethyl)benzamide
SMILESCOCCN(CC(=O)N(C)C)C(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C14H20FN3O3/c1-17(2)13(19)9-18(6-7-21-3)14(20)10-4-5-12(16)11(15)8-10/h4-5,8H,6-7,9,16H2,1-3H3
InChIKeyJGISCXLYUFMUKN-UHFFFAOYSA-N
MW297.33 g/mol
LogP0.58
Rot. Bonds6

About 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-fluoro-N-(2-methoxyethyl)benzamide

4-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-fluoro-N-(2-methoxyethyl)benzamide (PubChem CID 62681504) has the molecular formula C14H20FN3O3 and a molecular weight of 297.33 g/mol. Its IUPAC name is 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-fluoro-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name4-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-fluoro-N-(2-methoxyethyl)benzamide
PubChem CID62681504
Molecular FormulaC14H20FN3O3
Molecular Weight297.33 g/mol
Exact Mass297.15
IUPAC Name4-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-fluoro-N-(2-methoxyethyl)benzamide
SMILESCOCCN(CC(=O)N(C)C)C(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C14H20FN3O3/c1-17(2)13(19)9-18(6-7-21-3)14(20)10-4-5-12(16)11(15)8-10/h4-5,8H,6-7,9,16H2,1-3H3
InChIKeyJGISCXLYUFMUKN-UHFFFAOYSA-N
XLogP0.58
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide;hydrochloride
CID 119729862
2-amino-5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 61106038
4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-3-methylbenzamide
CID 115770617
4-amino-3-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide
CID 62844638
4-amino-3-hydroxy-N,N-bis(2-methoxyethyl)benzamide
CID 107074165
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methylbenzamide
CID 61106039
5-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methylbenzamide;hydrochloride
CID 120623191
2-methoxyethyl 4-amino-3-fluorobenzoate
CID 62681168
ethyl 2-[(4-amino-3-fluorobenzoyl)-methylamino]acetate
CID 62680799
4-amino-N-ethyl-3-hydroxy-N-(2-methoxyethyl)benzamide
CID 107074866
2-[(4-fluoro-3-methoxybenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 81283722
4-amino-2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide;hydrochloride
CID 119729851

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-fluoro-N-(2-methoxyethyl)benzamide?
The IUPAC name of 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-fluoro-N-(2-methoxyethyl)benzamide (CID 62681504) is 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-fluoro-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-fluoro-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-fluoro-N-(2-methoxyethyl)benzamide is COCCN(CC(=O)N(C)C)C(=O)c1ccc(N)c(F)c1.
What is the InChIKey of 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-fluoro-N-(2-methoxyethyl)benzamide?
The InChIKey is JGISCXLYUFMUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O3/c1-17(2)13(19)9-18(6-7-21-3)14(20)10-4-5-12(16)11(15)8-10/h4-5,8H,6-7,9,16H2,1-3H3.
What are the key properties of 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-fluoro-N-(2-methoxyethyl)benzamide?
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-fluoro-N-(2-methoxyethyl)benzamide has a molecular weight of 297.33 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-fluoro-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 62681504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).