N-(2-amino-1-cyclopropylethyl)-2-ethoxy-3-fluorobenzamide

C14H19FN2O2 — CID 119613240

IUPACN-(2-amino-1-cyclopropylethyl)-2-ethoxy-3-fluorobenzamide
SMILESCCOc1c(F)cccc1C(=O)NC(CN)C1CC1
InChIInChI=1S/C14H19FN2O2/c1-2-19-13-10(4-3-5-11(13)15)14(18)17-12(8-16)9-6-7-9/h3-5,9,12H,2,6-8,16H2,1H3,(H,17,18)
InChIKeyBGRHMIPXNBQYGJ-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.69
Rot. Bonds6

About N-(2-amino-1-cyclopropylethyl)-2-ethoxy-3-fluorobenzamide

N-(2-amino-1-cyclopropylethyl)-2-ethoxy-3-fluorobenzamide (PubChem CID 119613240) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2-ethoxy-3-fluorobenzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2-ethoxy-3-fluorobenzamide
PubChem CID119613240
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2-ethoxy-3-fluorobenzamide
SMILESCCOc1c(F)cccc1C(=O)NC(CN)C1CC1
InChIInChI=1S/C14H19FN2O2/c1-2-19-13-10(4-3-5-11(13)15)14(18)17-12(8-16)9-6-7-9/h3-5,9,12H,2,6-8,16H2,1H3,(H,17,18)
InChIKeyBGRHMIPXNBQYGJ-UHFFFAOYSA-N
XLogP1.69
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-2-fluorobenzamide
CID 65188796
N-(2-amino-1-cyclopropylethyl)-2-ethoxybenzamide;hydrochloride
CID 119616625
N-(2-amino-1-cyclopropylethyl)naphthalene-1-carboxamide
CID 65188485
N-(2-amino-1-cyclopropylethyl)-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride
CID 119617713
N-(2-amino-1-cyclopropylethyl)-3,4,5-triethoxybenzamide;hydrochloride
CID 119614010
N-(2-amino-1-cyclopropylethyl)-2-methylsulfanylbenzamide;hydrochloride
CID 119614072
N-(2-amino-1-cyclopropylethyl)-2-methoxybenzamide
CID 65188794
N-(2-amino-1-cyclopropylethyl)-2-fluoro-5-methylbenzamide
CID 65188786
N-(2-amino-1-cyclopropylethyl)-2-chlorobenzamide
CID 65188374
N-(2-amino-1-cyclohexylethyl)-2,3-dimethoxybenzamide;hydrochloride
CID 119591832
N-(2-amino-1-cyclopropylethyl)-2,4-difluoro-5-methylbenzamide;hydrochloride
CID 119613251
N-(2-amino-1-cyclopropylethyl)-2-fluoro-4-hydroxybenzamide
CID 107677141

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-ethoxy-3-fluorobenzamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-ethoxy-3-fluorobenzamide (CID 119613240) is N-(2-amino-1-cyclopropylethyl)-2-ethoxy-3-fluorobenzamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2-ethoxy-3-fluorobenzamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2-ethoxy-3-fluorobenzamide is CCOc1c(F)cccc1C(=O)NC(CN)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2-ethoxy-3-fluorobenzamide?
The InChIKey is BGRHMIPXNBQYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-2-19-13-10(4-3-5-11(13)15)14(18)17-12(8-16)9-6-7-9/h3-5,9,12H,2,6-8,16H2,1H3,(H,17,18).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2-ethoxy-3-fluorobenzamide?
N-(2-amino-1-cyclopropylethyl)-2-ethoxy-3-fluorobenzamide has a molecular weight of 266.32 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-2-ethoxy-3-fluorobenzamide is sourced from PubChem (CID 119613240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).