3-amino-4,5-dichloro-N-[2-(furan-2-yl)ethyl]benzamide

C13H12Cl2N2O2 — CID 61139466

IUPAC3-amino-4,5-dichloro-N-[2-(furan-2-yl)ethyl]benzamide
SMILESNc1cc(C(=O)NCCc2ccco2)cc(Cl)c1Cl
InChIInChI=1S/C13H12Cl2N2O2/c14-10-6-8(7-11(16)12(10)15)13(18)17-4-3-9-2-1-5-19-9/h1-2,5-7H,3-4,16H2,(H,17,18)
InChIKeyOAXCLXNAOYWHBK-UHFFFAOYSA-N
MW299.16 g/mol
LogP3.14
Rot. Bonds4

About 3-amino-4,5-dichloro-N-[2-(furan-2-yl)ethyl]benzamide

3-amino-4,5-dichloro-N-[2-(furan-2-yl)ethyl]benzamide (PubChem CID 61139466) has the molecular formula C13H12Cl2N2O2 and a molecular weight of 299.16 g/mol. Its IUPAC name is 3-amino-4,5-dichloro-N-[2-(furan-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-amino-4,5-dichloro-N-[2-(furan-2-yl)ethyl]benzamide
PubChem CID61139466
Molecular FormulaC13H12Cl2N2O2
Molecular Weight299.16 g/mol
Exact Mass298.03
IUPAC Name3-amino-4,5-dichloro-N-[2-(furan-2-yl)ethyl]benzamide
SMILESNc1cc(C(=O)NCCc2ccco2)cc(Cl)c1Cl
InChIInChI=1S/C13H12Cl2N2O2/c14-10-6-8(7-11(16)12(10)15)13(18)17-4-3-9-2-1-5-19-9/h1-2,5-7H,3-4,16H2,(H,17,18)
InChIKeyOAXCLXNAOYWHBK-UHFFFAOYSA-N
XLogP3.14
TPSA68.26 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 ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-chloro-N-[2-(furan-2-yl)ethyl]pyridine-4-carboxamide
CID 62161577
3-amino-2-chloro-N-[2-(furan-2-yl)ethyl]benzamide
CID 112575697
5-chloro-N-[2-(furan-2-yl)ethyl]-6-(methylamino)pyridine-3-carboxamide
CID 55047426
N-[2-(furan-2-yl)ethyl]-4-methylbenzamide
CID 5305680
3-amino-N-[2-(furan-2-yl)ethyl]-2-hydroxybenzamide
CID 113386431
3-amino-4,5-dichloro-N-(3-methylbutyl)benzamide
CID 61092538
5-[2-(furan-2-yl)ethylcarbamoyl]furan-3-carboxylic acid
CID 104607308
3-amino-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 61140792
4-amino-N-[2-(furan-2-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 61140224
N-[2-(furan-2-yl)ethyl]-2H-benzotriazole-5-carboxamide
CID 18126076
(2S)-2-amino-N-[2-(furan-2-yl)ethyl]propanamide
CID 61147120
2-(3-aminophenyl)-N-[2-(furan-2-yl)ethyl]acetamide
CID 55083762

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,5-dichloro-N-[2-(furan-2-yl)ethyl]benzamide?
The IUPAC name of 3-amino-4,5-dichloro-N-[2-(furan-2-yl)ethyl]benzamide (CID 61139466) is 3-amino-4,5-dichloro-N-[2-(furan-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-amino-4,5-dichloro-N-[2-(furan-2-yl)ethyl]benzamide?
The canonical SMILES for 3-amino-4,5-dichloro-N-[2-(furan-2-yl)ethyl]benzamide is Nc1cc(C(=O)NCCc2ccco2)cc(Cl)c1Cl.
What is the InChIKey of 3-amino-4,5-dichloro-N-[2-(furan-2-yl)ethyl]benzamide?
The InChIKey is OAXCLXNAOYWHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O2/c14-10-6-8(7-11(16)12(10)15)13(18)17-4-3-9-2-1-5-19-9/h1-2,5-7H,3-4,16H2,(H,17,18).
What are the key properties of 3-amino-4,5-dichloro-N-[2-(furan-2-yl)ethyl]benzamide?
3-amino-4,5-dichloro-N-[2-(furan-2-yl)ethyl]benzamide has a molecular weight of 299.16 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,5-dichloro-N-[2-(furan-2-yl)ethyl]benzamide is sourced from PubChem (CID 61139466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).