N-[(2S)-1-aminopropan-2-yl]-5-chlorofuran-2-carboxamide

C8H11ClN2O2 — CID 120508521

IUPACN-[(2S)-1-aminopropan-2-yl]-5-chlorofuran-2-carboxamide
SMILESC[C@@H](CN)NC(=O)c1ccc(Cl)o1
InChIInChI=1S/C8H11ClN2O2/c1-5(4-10)11-8(12)6-2-3-7(9)13-6/h2-3,5H,4,10H2,1H3,(H,11,12)/t5-/m0/s1
InChIKeySCRFLXDZRAMZFI-YFKPBYRVSA-N
MW202.64 g/mol
LogP1.01
Rot. Bonds3

About N-[(2S)-1-aminopropan-2-yl]-5-chlorofuran-2-carboxamide

N-[(2S)-1-aminopropan-2-yl]-5-chlorofuran-2-carboxamide (PubChem CID 120508521) has the molecular formula C8H11ClN2O2 and a molecular weight of 202.64 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-5-chlorofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-5-chlorofuran-2-carboxamide
PubChem CID120508521
Molecular FormulaC8H11ClN2O2
Molecular Weight202.64 g/mol
Exact Mass202.05
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-5-chlorofuran-2-carboxamide
SMILESC[C@@H](CN)NC(=O)c1ccc(Cl)o1
InChIInChI=1S/C8H11ClN2O2/c1-5(4-10)11-8(12)6-2-3-7(9)13-6/h2-3,5H,4,10H2,1H3,(H,11,12)/t5-/m0/s1
InChIKeySCRFLXDZRAMZFI-YFKPBYRVSA-N
XLogP1.01
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-5-chlorofuran-2-carboxamide?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-5-chlorofuran-2-carboxamide (CID 120508521) is N-[(2S)-1-aminopropan-2-yl]-5-chlorofuran-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-5-chlorofuran-2-carboxamide?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-5-chlorofuran-2-carboxamide is C[C@@H](CN)NC(=O)c1ccc(Cl)o1.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-5-chlorofuran-2-carboxamide?
The InChIKey is SCRFLXDZRAMZFI-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H11ClN2O2/c1-5(4-10)11-8(12)6-2-3-7(9)13-6/h2-3,5H,4,10H2,1H3,(H,11,12)/t5-/m0/s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-5-chlorofuran-2-carboxamide?
N-[(2S)-1-aminopropan-2-yl]-5-chlorofuran-2-carboxamide has a molecular weight of 202.64 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-5-chlorofuran-2-carboxamide is sourced from PubChem (CID 120508521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).