(3S)-3-amino-3-[5-(3,4-dichlorophenyl)furan-2-yl]propanamide

C13H12Cl2N2O2 — CID 124514752

IUPAC(3S)-3-amino-3-[5-(3,4-dichlorophenyl)furan-2-yl]propanamide
SMILESNC(=O)C[C@H](N)c1ccc(-c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C13H12Cl2N2O2/c14-8-2-1-7(5-9(8)15)11-3-4-12(19-11)10(16)6-13(17)18/h1-5,10H,6,16H2,(H2,17,18)/t10-/m0/s1
InChIKeySPQUYMLJJZOYKX-JTQLQIEISA-N
MW299.16 g/mol
LogP3.13
Rot. Bonds4

About (3S)-3-amino-3-[5-(3,4-dichlorophenyl)furan-2-yl]propanamide

(3S)-3-amino-3-[5-(3,4-dichlorophenyl)furan-2-yl]propanamide (PubChem CID 124514752) has the molecular formula C13H12Cl2N2O2 and a molecular weight of 299.16 g/mol. Its IUPAC name is (3S)-3-amino-3-[5-(3,4-dichlorophenyl)furan-2-yl]propanamide.

Molecular Properties

Compound Name(3S)-3-amino-3-[5-(3,4-dichlorophenyl)furan-2-yl]propanamide
PubChem CID124514752
Molecular FormulaC13H12Cl2N2O2
Molecular Weight299.16 g/mol
Exact Mass298.03
IUPAC Name(3S)-3-amino-3-[5-(3,4-dichlorophenyl)furan-2-yl]propanamide
SMILESNC(=O)C[C@H](N)c1ccc(-c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C13H12Cl2N2O2/c14-8-2-1-7(5-9(8)15)11-3-4-12(19-11)10(16)6-13(17)18/h1-5,10H,6,16H2,(H2,17,18)/t10-/m0/s1
InChIKeySPQUYMLJJZOYKX-JTQLQIEISA-N
XLogP3.13
TPSA82.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-[5-(3,4-dichlorophenyl)furan-2-yl]propanamide?
The IUPAC name of (3S)-3-amino-3-[5-(3,4-dichlorophenyl)furan-2-yl]propanamide (CID 124514752) is (3S)-3-amino-3-[5-(3,4-dichlorophenyl)furan-2-yl]propanamide.
What is the SMILES notation for (3S)-3-amino-3-[5-(3,4-dichlorophenyl)furan-2-yl]propanamide?
The canonical SMILES for (3S)-3-amino-3-[5-(3,4-dichlorophenyl)furan-2-yl]propanamide is NC(=O)C[C@H](N)c1ccc(-c2ccc(Cl)c(Cl)c2)o1.
What is the InChIKey of (3S)-3-amino-3-[5-(3,4-dichlorophenyl)furan-2-yl]propanamide?
The InChIKey is SPQUYMLJJZOYKX-JTQLQIEISA-N. The full InChI is InChI=1S/C13H12Cl2N2O2/c14-8-2-1-7(5-9(8)15)11-3-4-12(19-11)10(16)6-13(17)18/h1-5,10H,6,16H2,(H2,17,18)/t10-/m0/s1.
What are the key properties of (3S)-3-amino-3-[5-(3,4-dichlorophenyl)furan-2-yl]propanamide?
(3S)-3-amino-3-[5-(3,4-dichlorophenyl)furan-2-yl]propanamide has a molecular weight of 299.16 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-[5-(3,4-dichlorophenyl)furan-2-yl]propanamide is sourced from PubChem (CID 124514752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).