N-(2-aminoethyl)-2-fluoro-4,5-dimethoxybenzamide

C11H15FN2O3 — CID 119382400

IUPACN-(2-aminoethyl)-2-fluoro-4,5-dimethoxybenzamide
SMILESCOc1cc(F)c(C(=O)NCCN)cc1OC
InChIInChI=1S/C11H15FN2O3/c1-16-9-5-7(11(15)14-4-3-13)8(12)6-10(9)17-2/h5-6H,3-4,13H2,1-2H3,(H,14,15)
InChIKeyBOHWFONSKDIUPN-UHFFFAOYSA-N
MW242.25 g/mol
LogP0.53
Rot. Bonds5

About N-(2-aminoethyl)-2-fluoro-4,5-dimethoxybenzamide

N-(2-aminoethyl)-2-fluoro-4,5-dimethoxybenzamide (PubChem CID 119382400) has the molecular formula C11H15FN2O3 and a molecular weight of 242.25 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-fluoro-4,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-fluoro-4,5-dimethoxybenzamide
PubChem CID119382400
Molecular FormulaC11H15FN2O3
Molecular Weight242.25 g/mol
Exact Mass242.11
IUPAC NameN-(2-aminoethyl)-2-fluoro-4,5-dimethoxybenzamide
SMILESCOc1cc(F)c(C(=O)NCCN)cc1OC
InChIInChI=1S/C11H15FN2O3/c1-16-9-5-7(11(15)14-4-3-13)8(12)6-10(9)17-2/h5-6H,3-4,13H2,1-2H3,(H,14,15)
InChIKeyBOHWFONSKDIUPN-UHFFFAOYSA-N
XLogP0.53
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 ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-5-fluoro-2-methoxybenzamide
CID 119385341
N-(2-aminoethyl)-4,5-dichloro-2-methoxybenzamide;hydrochloride
CID 119384245
N-(2-aminoethyl)-3-fluoro-4-methoxybenzamide;hydrochloride
CID 119383983
methyl 2-fluoro-4,5-dimethoxybenzoate
CID 86155175
2,4,5-trimethoxy-N-propylbenzamide
CID 32736700
2-fluoro-4,5-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555478
4-amino-2-fluoro-5-methoxy-N-methylbenzamide
CID 89121907
N-(2-aminoethyl)-2-(4,5-dimethoxy-2-methylphenyl)acetamide
CID 98016358
N-(2-aminoethyl)-3-methoxy-4-methylbenzamide
CID 18071038
N-[2-(aminomethyl)cyclopentyl]-2-fluoro-4,5-dimethoxybenzamide;hydrochloride
CID 119601070
2-hydroxy-N-(2-hydroxyethyl)-4,5-dimethoxybenzamide
CID 67742482
5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluorobenzamide
CID 9083338

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-fluoro-4,5-dimethoxybenzamide?
The IUPAC name of N-(2-aminoethyl)-2-fluoro-4,5-dimethoxybenzamide (CID 119382400) is N-(2-aminoethyl)-2-fluoro-4,5-dimethoxybenzamide.
What is the SMILES notation for N-(2-aminoethyl)-2-fluoro-4,5-dimethoxybenzamide?
The canonical SMILES for N-(2-aminoethyl)-2-fluoro-4,5-dimethoxybenzamide is COc1cc(F)c(C(=O)NCCN)cc1OC.
What is the InChIKey of N-(2-aminoethyl)-2-fluoro-4,5-dimethoxybenzamide?
The InChIKey is BOHWFONSKDIUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O3/c1-16-9-5-7(11(15)14-4-3-13)8(12)6-10(9)17-2/h5-6H,3-4,13H2,1-2H3,(H,14,15).
What are the key properties of N-(2-aminoethyl)-2-fluoro-4,5-dimethoxybenzamide?
N-(2-aminoethyl)-2-fluoro-4,5-dimethoxybenzamide has a molecular weight of 242.25 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-fluoro-4,5-dimethoxybenzamide is sourced from PubChem (CID 119382400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).