(2-aminophenyl)-(5-chlorofuran-2-yl)methanone

C11H8ClNO2 — CID 105478534

IUPAC(2-aminophenyl)-(5-chlorofuran-2-yl)methanone
SMILESNc1ccccc1C(=O)c1ccc(Cl)o1
InChIInChI=1S/C11H8ClNO2/c12-10-6-5-9(15-10)11(14)7-3-1-2-4-8(7)13/h1-6H,13H2
InChIKeyFAYGNFXGEUHPHF-UHFFFAOYSA-N
MW221.64 g/mol
LogP2.75
Rot. Bonds2

About (2-aminophenyl)-(5-chlorofuran-2-yl)methanone

(2-aminophenyl)-(5-chlorofuran-2-yl)methanone (PubChem CID 105478534) has the molecular formula C11H8ClNO2 and a molecular weight of 221.64 g/mol. Its IUPAC name is (2-aminophenyl)-(5-chlorofuran-2-yl)methanone.

Molecular Properties

Compound Name(2-aminophenyl)-(5-chlorofuran-2-yl)methanone
PubChem CID105478534
Molecular FormulaC11H8ClNO2
Molecular Weight221.64 g/mol
Exact Mass221.02
IUPAC Name(2-aminophenyl)-(5-chlorofuran-2-yl)methanone
SMILESNc1ccccc1C(=O)c1ccc(Cl)o1
InChIInChI=1S/C11H8ClNO2/c12-10-6-5-9(15-10)11(14)7-3-1-2-4-8(7)13/h1-6H,13H2
InChIKeyFAYGNFXGEUHPHF-UHFFFAOYSA-N
XLogP2.75
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.64
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(5-chlorofuran-2-yl)-(2,3-dimethylphenyl)methanone
CID 106690970
(2-chloro-4,5-dimethoxyphenyl)-(5-chlorofuran-2-yl)methanone
CID 106683764
(5-chlorofuran-2-yl)-naphthalen-2-ylmethanone
CID 106690974
(5-chlorofuran-2-yl)-quinolin-8-ylmethanone
CID 106691206
(5-chlorofuran-2-yl)-(2,4-dichlorophenyl)methanone
CID 106683803
5-(5-chlorofuran-2-carbonyl)furan-2-carboxylic acid
CID 106946887
(2-aminophenyl)-(1,3-oxazol-5-yl)methanone
CID 130056733
(2-aminophenyl)-phenylmethanone
CID 158207972
(2-bromo-4,5-dimethoxyphenyl)-(5-chlorofuran-2-yl)methanone
CID 106683733
(5-chlorofuran-2-yl)-(5-ethylfuran-2-yl)methanone
CID 106683821
(5-chlorofuran-2-yl)-(3,5-difluorophenyl)methanone
CID 106690978
(2-aminophenyl)-phenylmethanone;diphenylmethanone
CID 90112643

Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl)-(5-chlorofuran-2-yl)methanone?
The IUPAC name of (2-aminophenyl)-(5-chlorofuran-2-yl)methanone (CID 105478534) is (2-aminophenyl)-(5-chlorofuran-2-yl)methanone.
What is the SMILES notation for (2-aminophenyl)-(5-chlorofuran-2-yl)methanone?
The canonical SMILES for (2-aminophenyl)-(5-chlorofuran-2-yl)methanone is Nc1ccccc1C(=O)c1ccc(Cl)o1.
What is the InChIKey of (2-aminophenyl)-(5-chlorofuran-2-yl)methanone?
The InChIKey is FAYGNFXGEUHPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO2/c12-10-6-5-9(15-10)11(14)7-3-1-2-4-8(7)13/h1-6H,13H2.
What are the key properties of (2-aminophenyl)-(5-chlorofuran-2-yl)methanone?
(2-aminophenyl)-(5-chlorofuran-2-yl)methanone has a molecular weight of 221.64 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl)-(5-chlorofuran-2-yl)methanone is sourced from PubChem (CID 105478534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).