1-(3-amino-5-chlorophenyl)-2-(furan-3-yl)ethanone

C12H10ClNO2 — CID 116597474

IUPAC1-(3-amino-5-chlorophenyl)-2-(furan-3-yl)ethanone
SMILESNc1cc(Cl)cc(C(=O)Cc2ccoc2)c1
InChIInChI=1S/C12H10ClNO2/c13-10-4-9(5-11(14)6-10)12(15)3-8-1-2-16-7-8/h1-2,4-7H,3,14H2
InChIKeyCLTGLJTVHCGLLM-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.94
Rot. Bonds3

About 1-(3-amino-5-chlorophenyl)-2-(furan-3-yl)ethanone

1-(3-amino-5-chlorophenyl)-2-(furan-3-yl)ethanone (PubChem CID 116597474) has the molecular formula C12H10ClNO2 and a molecular weight of 235.67 g/mol. Its IUPAC name is 1-(3-amino-5-chlorophenyl)-2-(furan-3-yl)ethanone.

Molecular Properties

Compound Name1-(3-amino-5-chlorophenyl)-2-(furan-3-yl)ethanone
PubChem CID116597474
Molecular FormulaC12H10ClNO2
Molecular Weight235.67 g/mol
Exact Mass235.04
IUPAC Name1-(3-amino-5-chlorophenyl)-2-(furan-3-yl)ethanone
SMILESNc1cc(Cl)cc(C(=O)Cc2ccoc2)c1
InChIInChI=1S/C12H10ClNO2/c13-10-4-9(5-11(14)6-10)12(15)3-8-1-2-16-7-8/h1-2,4-7H,3,14H2
InChIKeyCLTGLJTVHCGLLM-UHFFFAOYSA-N
XLogP2.94
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-amino-5-chlorophenyl)-2-(4-chlorophenyl)ethanone
CID 116597278
1-(3-amino-5-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanone
CID 106871319
1-(3-amino-5-chlorophenyl)-4,4-dimethylpentan-1-one
CID 116597298
2-(3-chlorophenyl)-1-(furan-3-yl)ethanone
CID 62505293
1-(3-amino-5-chlorophenyl)-2-pyridin-2-ylethanone
CID 116597491
1-(3-amino-5-chlorophenyl)-2-(1-methylindazol-3-yl)ethanone
CID 116597401
1-(3-chlorophenyl)-3-[furan-3-ylmethyl(methyl)amino]propan-1-one
CID 62629534
1-(2-chlorofuran-3-yl)-2-(furan-3-yl)ethanone
CID 106691241
1-(3-amino-5-chlorophenyl)-2-(1-methyltriazol-4-yl)ethanone
CID 107062342
1-(2-chloro-4-methylphenyl)-2-(furan-3-yl)ethanone
CID 106865128
1-(2-amino-5-fluorophenyl)-2-(furan-3-yl)ethanone
CID 83173098
1-(3-amino-5-chlorophenyl)pent-3-yn-1-one
CID 116597316

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-chlorophenyl)-2-(furan-3-yl)ethanone?
The IUPAC name of 1-(3-amino-5-chlorophenyl)-2-(furan-3-yl)ethanone (CID 116597474) is 1-(3-amino-5-chlorophenyl)-2-(furan-3-yl)ethanone.
What is the SMILES notation for 1-(3-amino-5-chlorophenyl)-2-(furan-3-yl)ethanone?
The canonical SMILES for 1-(3-amino-5-chlorophenyl)-2-(furan-3-yl)ethanone is Nc1cc(Cl)cc(C(=O)Cc2ccoc2)c1.
What is the InChIKey of 1-(3-amino-5-chlorophenyl)-2-(furan-3-yl)ethanone?
The InChIKey is CLTGLJTVHCGLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2/c13-10-4-9(5-11(14)6-10)12(15)3-8-1-2-16-7-8/h1-2,4-7H,3,14H2.
What are the key properties of 1-(3-amino-5-chlorophenyl)-2-(furan-3-yl)ethanone?
1-(3-amino-5-chlorophenyl)-2-(furan-3-yl)ethanone has a molecular weight of 235.67 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-chlorophenyl)-2-(furan-3-yl)ethanone is sourced from PubChem (CID 116597474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).