N-(1-amino-2-methylpropan-2-yl)-3-chlorofuran-2-carboxamide

C9H13ClN2O2 — CID 110834006

IUPACN-(1-amino-2-methylpropan-2-yl)-3-chlorofuran-2-carboxamide
SMILESCC(C)(CN)NC(=O)c1occc1Cl
InChIInChI=1S/C9H13ClN2O2/c1-9(2,5-11)12-8(13)7-6(10)3-4-14-7/h3-4H,5,11H2,1-2H3,(H,12,13)
InChIKeyYYESOFHFHOXWGE-UHFFFAOYSA-N
MW216.67 g/mol
LogP1.40
Rot. Bonds3

About N-(1-amino-2-methylpropan-2-yl)-3-chlorofuran-2-carboxamide

N-(1-amino-2-methylpropan-2-yl)-3-chlorofuran-2-carboxamide (PubChem CID 110834006) has the molecular formula C9H13ClN2O2 and a molecular weight of 216.67 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-3-chlorofuran-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-3-chlorofuran-2-carboxamide
PubChem CID110834006
Molecular FormulaC9H13ClN2O2
Molecular Weight216.67 g/mol
Exact Mass216.07
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-3-chlorofuran-2-carboxamide
SMILESCC(C)(CN)NC(=O)c1occc1Cl
InChIInChI=1S/C9H13ClN2O2/c1-9(2,5-11)12-8(13)7-6(10)3-4-14-7/h3-4H,5,11H2,1-2H3,(H,12,13)
InChIKeyYYESOFHFHOXWGE-UHFFFAOYSA-N
XLogP1.40
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-chloro-N-(2-chloroprop-2-enyl)furan-2-carboxamide
CID 130636689
N-(1-amino-2-methylpropan-2-yl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-chlorofuran-2-carboxamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-chlorofuran-2-carboxamide (CID 110834006) is N-(1-amino-2-methylpropan-2-yl)-3-chlorofuran-2-carboxamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-3-chlorofuran-2-carboxamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-3-chlorofuran-2-carboxamide is CC(C)(CN)NC(=O)c1occc1Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-3-chlorofuran-2-carboxamide?
The InChIKey is YYESOFHFHOXWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2/c1-9(2,5-11)12-8(13)7-6(10)3-4-14-7/h3-4H,5,11H2,1-2H3,(H,12,13).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-3-chlorofuran-2-carboxamide?
N-(1-amino-2-methylpropan-2-yl)-3-chlorofuran-2-carboxamide has a molecular weight of 216.67 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-3-chlorofuran-2-carboxamide is sourced from PubChem (CID 110834006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).