N-(azetidin-3-yl)-5-chloro-N-methylfuran-2-carboxamide

C9H11ClN2O2 — CID 66185904

IUPACN-(azetidin-3-yl)-5-chloro-N-methylfuran-2-carboxamide
SMILESCN(C(=O)c1ccc(Cl)o1)C1CNC1
InChIInChI=1S/C9H11ClN2O2/c1-12(6-4-11-5-6)9(13)7-2-3-8(10)14-7/h2-3,6,11H,4-5H2,1H3
InChIKeyQQHDQIQJVPWSBB-UHFFFAOYSA-N
MW214.65 g/mol
LogP0.98
Rot. Bonds2

About N-(azetidin-3-yl)-5-chloro-N-methylfuran-2-carboxamide

N-(azetidin-3-yl)-5-chloro-N-methylfuran-2-carboxamide (PubChem CID 66185904) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is N-(azetidin-3-yl)-5-chloro-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-5-chloro-N-methylfuran-2-carboxamide
PubChem CID66185904
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC NameN-(azetidin-3-yl)-5-chloro-N-methylfuran-2-carboxamide
SMILESCN(C(=O)c1ccc(Cl)o1)C1CNC1
InChIInChI=1S/C9H11ClN2O2/c1-12(6-4-11-5-6)9(13)7-2-3-8(10)14-7/h2-3,6,11H,4-5H2,1H3
InChIKeyQQHDQIQJVPWSBB-UHFFFAOYSA-N
XLogP0.98
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 106685019
N-[(3aS,6aR)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-5-chloro-N-methylfuran-2-carboxamide
CID 134697114
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5-chloro-N-(2-chlorocyclohexyl)-N-methylfuran-2-carboxamide
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N-(azetidin-3-yl)-N-methyl-1,2-oxazole-5-carboxamide
CID 66186851
5-bromo-N-methyl-N-piperidin-4-ylfuran-2-carboxamide
CID 43602151
2-[(5-chlorofuran-2-carbonyl)-methylamino]acetic acid
CID 28790003
N-(azetidin-3-yl)-3,5-dichloro-N-methylbenzamide
CID 66186140
N-(2-amino-2-oxoethyl)-5-chloro-N-piperidin-4-ylfuran-2-carboxamide
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N-(2-bromoethyl)-5-chloro-N-cyclopropylfuran-2-carboxamide
CID 106689937
5-chloro-N-ethyl-N-(piperidin-3-ylmethyl)furan-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-5-chloro-N-methylfuran-2-carboxamide?
The IUPAC name of N-(azetidin-3-yl)-5-chloro-N-methylfuran-2-carboxamide (CID 66185904) is N-(azetidin-3-yl)-5-chloro-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-(azetidin-3-yl)-5-chloro-N-methylfuran-2-carboxamide?
The canonical SMILES for N-(azetidin-3-yl)-5-chloro-N-methylfuran-2-carboxamide is CN(C(=O)c1ccc(Cl)o1)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-5-chloro-N-methylfuran-2-carboxamide?
The InChIKey is QQHDQIQJVPWSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c1-12(6-4-11-5-6)9(13)7-2-3-8(10)14-7/h2-3,6,11H,4-5H2,1H3.
What are the key properties of N-(azetidin-3-yl)-5-chloro-N-methylfuran-2-carboxamide?
N-(azetidin-3-yl)-5-chloro-N-methylfuran-2-carboxamide has a molecular weight of 214.65 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-5-chloro-N-methylfuran-2-carboxamide is sourced from PubChem (CID 66185904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).