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

C13H12Cl2N2O2 — CID 124514749

IUPAC(3R)-3-amino-3-[5-(2,5-dichlorophenyl)furan-2-yl]propanamide
SMILESNC(=O)C[C@@H](N)c1ccc(-c2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C13H12Cl2N2O2/c14-7-1-2-9(15)8(5-7)11-3-4-12(19-11)10(16)6-13(17)18/h1-5,10H,6,16H2,(H2,17,18)/t10-/m1/s1
InChIKeyPVBGDBVQEVLOJF-SNVBAGLBSA-N
MW299.16 g/mol
LogP3.13
Rot. Bonds4

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

(3R)-3-amino-3-[5-(2,5-dichlorophenyl)furan-2-yl]propanamide (PubChem CID 124514749) has the molecular formula C13H12Cl2N2O2 and a molecular weight of 299.16 g/mol. Its IUPAC name is (3R)-3-amino-3-[5-(2,5-dichlorophenyl)furan-2-yl]propanamide.

Molecular Properties

Compound Name(3R)-3-amino-3-[5-(2,5-dichlorophenyl)furan-2-yl]propanamide
PubChem CID124514749
Molecular FormulaC13H12Cl2N2O2
Molecular Weight299.16 g/mol
Exact Mass298.03
IUPAC Name(3R)-3-amino-3-[5-(2,5-dichlorophenyl)furan-2-yl]propanamide
SMILESNC(=O)C[C@@H](N)c1ccc(-c2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C13H12Cl2N2O2/c14-7-1-2-9(15)8(5-7)11-3-4-12(19-11)10(16)6-13(17)18/h1-5,10H,6,16H2,(H2,17,18)/t10-/m1/s1
InChIKeyPVBGDBVQEVLOJF-SNVBAGLBSA-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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Related Compounds

(3S)-3-amino-3-[5-(3,4-dichlorophenyl)furan-2-yl]propanamide
CID 124514752
(3S)-3-amino-3-(4-chlorophenyl)propanamide
CID 29060060
N-(diaminomethylidene)-5-(2,5-dichlorophenyl)furan-2-carboxamide
CID 11483373
3-amino-3-[5-(hydroxymethyl)furan-2-yl]propanamide
CID 55255526
(3R)-3-amino-3-(5-bromofuran-2-yl)propanamide
CID 29060163
(3S)-3-amino-3-(4-chloro-2-fluorophenyl)propanamide
CID 104980078
1-[5-(2,5-dichlorophenyl)furan-2-yl]-N-ethylpropan-1-amine
CID 63398591
(3S)-3-amino-3-(5-ethylfuran-2-yl)propanamide
CID 78989110
2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylamino]-3-methylbutanoic acid
CID 66527400
(2S)-4-amino-2-[(2,5-dichlorobenzoyl)amino]-4-oxobutanoic acid
CID 29282640
2-(2,5-dichlorophenyl)-5-methylfuran;ethane
CID 143821579
3-amino-3-[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]propanamide
CID 170876267

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-[5-(2,5-dichlorophenyl)furan-2-yl]propanamide?
The IUPAC name of (3R)-3-amino-3-[5-(2,5-dichlorophenyl)furan-2-yl]propanamide (CID 124514749) is (3R)-3-amino-3-[5-(2,5-dichlorophenyl)furan-2-yl]propanamide.
What is the SMILES notation for (3R)-3-amino-3-[5-(2,5-dichlorophenyl)furan-2-yl]propanamide?
The canonical SMILES for (3R)-3-amino-3-[5-(2,5-dichlorophenyl)furan-2-yl]propanamide is NC(=O)C[C@@H](N)c1ccc(-c2cc(Cl)ccc2Cl)o1.
What is the InChIKey of (3R)-3-amino-3-[5-(2,5-dichlorophenyl)furan-2-yl]propanamide?
The InChIKey is PVBGDBVQEVLOJF-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H12Cl2N2O2/c14-7-1-2-9(15)8(5-7)11-3-4-12(19-11)10(16)6-13(17)18/h1-5,10H,6,16H2,(H2,17,18)/t10-/m1/s1.
What are the key properties of (3R)-3-amino-3-[5-(2,5-dichlorophenyl)furan-2-yl]propanamide?
(3R)-3-amino-3-[5-(2,5-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 (3R)-3-amino-3-[5-(2,5-dichlorophenyl)furan-2-yl]propanamide is sourced from PubChem (CID 124514749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).