2-(2-aminoethoxy)-N-cyclopropyl-5-fluorobenzamide;hydrochloride

C12H16ClFN2O2 — CID 166174911

IUPAC2-(2-aminoethoxy)-N-cyclopropyl-5-fluorobenzamide;hydrochloride
SMILESCl.NCCOc1ccc(F)cc1C(=O)NC1CC1
InChIInChI=1S/C12H15FN2O2.ClH/c13-8-1-4-11(17-6-5-14)10(7-8)12(16)15-9-2-3-9;/h1,4,7,9H,2-3,5-6,14H2,(H,15,16);1H
InChIKeyNDVWGFUWHMHIHQ-UHFFFAOYSA-N
MW274.72 g/mol
LogP1.48
Rot. Bonds5

About 2-(2-aminoethoxy)-N-cyclopropyl-5-fluorobenzamide;hydrochloride

2-(2-aminoethoxy)-N-cyclopropyl-5-fluorobenzamide;hydrochloride (PubChem CID 166174911) has the molecular formula C12H16ClFN2O2 and a molecular weight of 274.72 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-cyclopropyl-5-fluorobenzamide;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-cyclopropyl-5-fluorobenzamide;hydrochloride
PubChem CID166174911
Molecular FormulaC12H16ClFN2O2
Molecular Weight274.72 g/mol
Exact Mass274.09
IUPAC Name2-(2-aminoethoxy)-N-cyclopropyl-5-fluorobenzamide;hydrochloride
SMILESCl.NCCOc1ccc(F)cc1C(=O)NC1CC1
InChIInChI=1S/C12H15FN2O2.ClH/c13-8-1-4-11(17-6-5-14)10(7-8)12(16)15-9-2-3-9;/h1,4,7,9H,2-3,5-6,14H2,(H,15,16);1H
InChIKeyNDVWGFUWHMHIHQ-UHFFFAOYSA-N
XLogP1.48
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.72
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminoethoxy)-5-fluoro-N-(oxan-4-yl)benzamide;hydrochloride
CID 166174931
2-(2-aminoethoxy)-5-fluoro-N-propan-2-ylbenzamide;hydrochloride
CID 166174909
5-fluoro-2-methoxy-N-(4-methylcyclohexyl)benzamide
CID 31306165
2-amino-N-cyclopropyl-5-fluorobenzamide
CID 22493342
N-cyclobutyl-2,4-difluorobenzamide
CID 70247338
[2-(2-aminoethoxy)-5-fluorophenyl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 166174937
2-(2-aminoethoxy)-N-[2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-5-fluorobenzamide
CID 126447738
2-(2-aminoethoxy)-N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-5-fluorobenzamide
CID 126447739
N-cyclopropyl-4-fluoro-2-methoxybenzamide
CID 162421278
N-(4-aminocyclohexyl)-2-bromo-5-fluorobenzamide;hydrochloride
CID 119478924
N-(4-aminocyclohexyl)-5-fluoro-2-hydroxybenzamide
CID 113281549
N-cyclopropyl-4-fluoro-2-(2-hydroxypropoxy)benzamide
CID 174428773

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-cyclopropyl-5-fluorobenzamide;hydrochloride?
The IUPAC name of 2-(2-aminoethoxy)-N-cyclopropyl-5-fluorobenzamide;hydrochloride (CID 166174911) is 2-(2-aminoethoxy)-N-cyclopropyl-5-fluorobenzamide;hydrochloride.
What is the SMILES notation for 2-(2-aminoethoxy)-N-cyclopropyl-5-fluorobenzamide;hydrochloride?
The canonical SMILES for 2-(2-aminoethoxy)-N-cyclopropyl-5-fluorobenzamide;hydrochloride is Cl.NCCOc1ccc(F)cc1C(=O)NC1CC1.
What is the InChIKey of 2-(2-aminoethoxy)-N-cyclopropyl-5-fluorobenzamide;hydrochloride?
The InChIKey is NDVWGFUWHMHIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2.ClH/c13-8-1-4-11(17-6-5-14)10(7-8)12(16)15-9-2-3-9;/h1,4,7,9H,2-3,5-6,14H2,(H,15,16);1H.
What are the key properties of 2-(2-aminoethoxy)-N-cyclopropyl-5-fluorobenzamide;hydrochloride?
2-(2-aminoethoxy)-N-cyclopropyl-5-fluorobenzamide;hydrochloride has a molecular weight of 274.72 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-cyclopropyl-5-fluorobenzamide;hydrochloride is sourced from PubChem (CID 166174911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).