N-(2-amino-4-ethoxycyclobutyl)-5-chloro-2-fluorobenzamide

C13H16ClFN2O2 — CID 66195304

IUPACN-(2-amino-4-ethoxycyclobutyl)-5-chloro-2-fluorobenzamide
SMILESCCOC1CC(N)C1NC(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C13H16ClFN2O2/c1-2-19-11-6-10(16)12(11)17-13(18)8-5-7(14)3-4-9(8)15/h3-5,10-12H,2,6,16H2,1H3,(H,17,18)
InChIKeyBVAFTFONOVOJGB-UHFFFAOYSA-N
MW286.73 g/mol
LogP1.71
Rot. Bonds4

About N-(2-amino-4-ethoxycyclobutyl)-5-chloro-2-fluorobenzamide

N-(2-amino-4-ethoxycyclobutyl)-5-chloro-2-fluorobenzamide (PubChem CID 66195304) has the molecular formula C13H16ClFN2O2 and a molecular weight of 286.73 g/mol. Its IUPAC name is N-(2-amino-4-ethoxycyclobutyl)-5-chloro-2-fluorobenzamide.

Molecular Properties

Compound NameN-(2-amino-4-ethoxycyclobutyl)-5-chloro-2-fluorobenzamide
PubChem CID66195304
Molecular FormulaC13H16ClFN2O2
Molecular Weight286.73 g/mol
Exact Mass286.09
IUPAC NameN-(2-amino-4-ethoxycyclobutyl)-5-chloro-2-fluorobenzamide
SMILESCCOC1CC(N)C1NC(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C13H16ClFN2O2/c1-2-19-11-6-10(16)12(11)17-13(18)8-5-7(14)3-4-9(8)15/h3-5,10-12H,2,6,16H2,1H3,(H,17,18)
InChIKeyBVAFTFONOVOJGB-UHFFFAOYSA-N
XLogP1.71
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.73
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-4-ethoxycyclobutyl)-2,5-difluorobenzamide
CID 66197031
N-(2-amino-4-ethoxycyclobutyl)-2-fluoro-5-methylbenzamide
CID 66196271
N-(2-amino-4-ethoxycyclobutyl)-2-bromo-4-chlorobenzamide
CID 107990557
N-(2-amino-4-ethoxycyclobutyl)-2-fluoro-4-hydroxybenzamide
CID 107677163
N-(2-amino-4-ethoxycyclobutyl)-5-fluoro-2-methylbenzamide
CID 66196265
N-(2-amino-4-ethoxycyclobutyl)-2-fluoro-4-methoxybenzamide
CID 102884059
N-(2-amino-4-ethoxycyclobutyl)-2-fluoro-4-nitrobenzamide
CID 66197224
N-(2-amino-4-ethoxycyclobutyl)-2-chlorofuran-3-carboxamide
CID 106688549
5-chloro-N-(3-ethoxycyclobutyl)-2-fluorobenzamide
CID 102610577
N-(2-amino-4-ethoxycyclobutyl)-2,4-dihydroxybenzamide
CID 66195669
N-(2-amino-4-ethoxycyclobutyl)-2-bromobenzamide
CID 66195102
N-(2-amino-4-ethoxycyclobutyl)-5-fluoropyridine-2-carboxamide
CID 104639313

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-ethoxycyclobutyl)-5-chloro-2-fluorobenzamide?
The IUPAC name of N-(2-amino-4-ethoxycyclobutyl)-5-chloro-2-fluorobenzamide (CID 66195304) is N-(2-amino-4-ethoxycyclobutyl)-5-chloro-2-fluorobenzamide.
What is the SMILES notation for N-(2-amino-4-ethoxycyclobutyl)-5-chloro-2-fluorobenzamide?
The canonical SMILES for N-(2-amino-4-ethoxycyclobutyl)-5-chloro-2-fluorobenzamide is CCOC1CC(N)C1NC(=O)c1cc(Cl)ccc1F.
What is the InChIKey of N-(2-amino-4-ethoxycyclobutyl)-5-chloro-2-fluorobenzamide?
The InChIKey is BVAFTFONOVOJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O2/c1-2-19-11-6-10(16)12(11)17-13(18)8-5-7(14)3-4-9(8)15/h3-5,10-12H,2,6,16H2,1H3,(H,17,18).
What are the key properties of N-(2-amino-4-ethoxycyclobutyl)-5-chloro-2-fluorobenzamide?
N-(2-amino-4-ethoxycyclobutyl)-5-chloro-2-fluorobenzamide has a molecular weight of 286.73 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-ethoxycyclobutyl)-5-chloro-2-fluorobenzamide is sourced from PubChem (CID 66195304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).