2-amino-N-(2-fluoroethyl)-3,5-dimethoxybenzamide

C11H15FN2O3 — CID 114266909

IUPAC2-amino-N-(2-fluoroethyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)c(N)c(C(=O)NCCF)c1
InChIInChI=1S/C11H15FN2O3/c1-16-7-5-8(11(15)14-4-3-12)10(13)9(6-7)17-2/h5-6H,3-4,13H2,1-2H3,(H,14,15)
InChIKeyVSGXJDJUERGRJO-UHFFFAOYSA-N
MW242.25 g/mol
LogP0.99
Rot. Bonds5

About 2-amino-N-(2-fluoroethyl)-3,5-dimethoxybenzamide

2-amino-N-(2-fluoroethyl)-3,5-dimethoxybenzamide (PubChem CID 114266909) has the molecular formula C11H15FN2O3 and a molecular weight of 242.25 g/mol. Its IUPAC name is 2-amino-N-(2-fluoroethyl)-3,5-dimethoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(2-fluoroethyl)-3,5-dimethoxybenzamide
PubChem CID114266909
Molecular FormulaC11H15FN2O3
Molecular Weight242.25 g/mol
Exact Mass242.11
IUPAC Name2-amino-N-(2-fluoroethyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)c(N)c(C(=O)NCCF)c1
InChIInChI=1S/C11H15FN2O3/c1-16-7-5-8(11(15)14-4-3-12)10(13)9(6-7)17-2/h5-6H,3-4,13H2,1-2H3,(H,14,15)
InChIKeyVSGXJDJUERGRJO-UHFFFAOYSA-N
XLogP0.99
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-butyl-3,5-dimethoxybenzamide
CID 112606080
2-amino-N-ethyl-3,5-dimethoxybenzamide
CID 112606069
2-amino-3,5-dimethoxy-N-(3-methylbutyl)benzamide
CID 112606081
2-amino-3,5-dimethoxy-N-(4,4,4-trifluorobutyl)benzamide
CID 115950778
2-amino-N-(4-hydroxy-2-methylbutyl)-3,5-dimethoxybenzamide
CID 115950742
2-amino-3,5-dimethoxy-N-(3-methylpentan-3-yl)benzamide
CID 106327779
2-amino-3,5-dimethoxy-N-(3-methylpentan-2-yl)benzamide
CID 115950600
2-amino-3,5-dimethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 115950623
2-amino-3,5-dimethoxy-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107416343
2-amino-3,5-dimethoxy-N-(2-methylpentan-3-yl)benzamide
CID 115950603
2-amino-N-(5-hydroxypentan-2-yl)-3,5-dimethoxybenzamide
CID 115950760
2-amino-3,5-dimethoxy-N,N-dipropylbenzamide
CID 115950412

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-fluoroethyl)-3,5-dimethoxybenzamide?
The IUPAC name of 2-amino-N-(2-fluoroethyl)-3,5-dimethoxybenzamide (CID 114266909) is 2-amino-N-(2-fluoroethyl)-3,5-dimethoxybenzamide.
What is the SMILES notation for 2-amino-N-(2-fluoroethyl)-3,5-dimethoxybenzamide?
The canonical SMILES for 2-amino-N-(2-fluoroethyl)-3,5-dimethoxybenzamide is COc1cc(OC)c(N)c(C(=O)NCCF)c1.
What is the InChIKey of 2-amino-N-(2-fluoroethyl)-3,5-dimethoxybenzamide?
The InChIKey is VSGXJDJUERGRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O3/c1-16-7-5-8(11(15)14-4-3-12)10(13)9(6-7)17-2/h5-6H,3-4,13H2,1-2H3,(H,14,15).
What are the key properties of 2-amino-N-(2-fluoroethyl)-3,5-dimethoxybenzamide?
2-amino-N-(2-fluoroethyl)-3,5-dimethoxybenzamide has a molecular weight of 242.25 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-fluoroethyl)-3,5-dimethoxybenzamide is sourced from PubChem (CID 114266909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).