N-(2-amino-4-ethoxycyclobutyl)-2-chlorofuran-3-carboxamide

C11H15ClN2O3 — CID 106688549

IUPACN-(2-amino-4-ethoxycyclobutyl)-2-chlorofuran-3-carboxamide
SMILESCCOC1CC(N)C1NC(=O)c1ccoc1Cl
InChIInChI=1S/C11H15ClN2O3/c1-2-16-8-5-7(13)9(8)14-11(15)6-3-4-17-10(6)12/h3-4,7-9H,2,5,13H2,1H3,(H,14,15)
InChIKeyUPLSCXYNCGKEOM-UHFFFAOYSA-N
MW258.70 g/mol
LogP1.17
Rot. Bonds4

About N-(2-amino-4-ethoxycyclobutyl)-2-chlorofuran-3-carboxamide

N-(2-amino-4-ethoxycyclobutyl)-2-chlorofuran-3-carboxamide (PubChem CID 106688549) has the molecular formula C11H15ClN2O3 and a molecular weight of 258.70 g/mol. Its IUPAC name is N-(2-amino-4-ethoxycyclobutyl)-2-chlorofuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-ethoxycyclobutyl)-2-chlorofuran-3-carboxamide
PubChem CID106688549
Molecular FormulaC11H15ClN2O3
Molecular Weight258.70 g/mol
Exact Mass258.08
IUPAC NameN-(2-amino-4-ethoxycyclobutyl)-2-chlorofuran-3-carboxamide
SMILESCCOC1CC(N)C1NC(=O)c1ccoc1Cl
InChIInChI=1S/C11H15ClN2O3/c1-2-16-8-5-7(13)9(8)14-11(15)6-3-4-17-10(6)12/h3-4,7-9H,2,5,13H2,1H3,(H,14,15)
InChIKeyUPLSCXYNCGKEOM-UHFFFAOYSA-N
XLogP1.17
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-morpholin-4-ylpropyl)furan-3-carboxamide
CID 45878800
N-[(3S*,4S*)-1-isopropyl-4-methoxypyrrolidin-3-yl]-3-furamide
CID 91792411
2-chloro-N-[(2S)-1-cyanobutan-2-yl]furan-3-carboxamide
CID 164643454
2-chloro-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
CID 106685254
2-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
CID 106686317
2-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]furan-3-carboxamide
CID 106686322
2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
CID 106686332
2-chloro-N-(3,3,3-trifluoropropyl)furan-3-carboxamide
CID 106686799
2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]furan-3-carboxamide
CID 106686846
2-chloro-N-(2,2-difluoroethyl)furan-3-carboxamide
CID 106687085
2-chloro-N-(4,4,4-trifluorobutyl)furan-3-carboxamide
CID 106687087
2-chloro-N-(5,5,5-trifluoropentyl)furan-3-carboxamide
CID 106687088

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-ethoxycyclobutyl)-2-chlorofuran-3-carboxamide?
The IUPAC name of N-(2-amino-4-ethoxycyclobutyl)-2-chlorofuran-3-carboxamide (CID 106688549) is N-(2-amino-4-ethoxycyclobutyl)-2-chlorofuran-3-carboxamide.
What is the SMILES notation for N-(2-amino-4-ethoxycyclobutyl)-2-chlorofuran-3-carboxamide?
The canonical SMILES for N-(2-amino-4-ethoxycyclobutyl)-2-chlorofuran-3-carboxamide is CCOC1CC(N)C1NC(=O)c1ccoc1Cl.
What is the InChIKey of N-(2-amino-4-ethoxycyclobutyl)-2-chlorofuran-3-carboxamide?
The InChIKey is UPLSCXYNCGKEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3/c1-2-16-8-5-7(13)9(8)14-11(15)6-3-4-17-10(6)12/h3-4,7-9H,2,5,13H2,1H3,(H,14,15).
What are the key properties of N-(2-amino-4-ethoxycyclobutyl)-2-chlorofuran-3-carboxamide?
N-(2-amino-4-ethoxycyclobutyl)-2-chlorofuran-3-carboxamide has a molecular weight of 258.70 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-ethoxycyclobutyl)-2-chlorofuran-3-carboxamide is sourced from PubChem (CID 106688549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).