[5-(4-aminophenyl)furan-2-yl]-(4-fluorophenyl)methanone

C17H12FNO2 — CID 134836163

IUPAC[5-(4-aminophenyl)furan-2-yl]-(4-fluorophenyl)methanone
SMILESNc1ccc(-c2ccc(C(=O)c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C17H12FNO2/c18-13-5-1-12(2-6-13)17(20)16-10-9-15(21-16)11-3-7-14(19)8-4-11/h1-10H,19H2
InChIKeyHFAHNOQQXNXVNP-UHFFFAOYSA-N
MW281.29 g/mol
LogP3.90
Rot. Bonds3

About [5-(4-aminophenyl)furan-2-yl]-(4-fluorophenyl)methanone

[5-(4-aminophenyl)furan-2-yl]-(4-fluorophenyl)methanone (PubChem CID 134836163) has the molecular formula C17H12FNO2 and a molecular weight of 281.29 g/mol. Its IUPAC name is [5-(4-aminophenyl)furan-2-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[5-(4-aminophenyl)furan-2-yl]-(4-fluorophenyl)methanone
PubChem CID134836163
Molecular FormulaC17H12FNO2
Molecular Weight281.29 g/mol
Exact Mass281.09
IUPAC Name[5-(4-aminophenyl)furan-2-yl]-(4-fluorophenyl)methanone
SMILESNc1ccc(-c2ccc(C(=O)c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C17H12FNO2/c18-13-5-1-12(2-6-13)17(20)16-10-9-15(21-16)11-3-7-14(19)8-4-11/h1-10H,19H2
InChIKeyHFAHNOQQXNXVNP-UHFFFAOYSA-N
XLogP3.90
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 53.90
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-[5-(4-fluorophenyl)furan-2-yl]propan-1-one
CID 62632212
[4-[4-(4-aminobenzoyl)phenyl]phenyl]-(4-aminophenyl)methanone
CID 14344374
diphenylmethanone;4-fluoroaniline
CID 174706224
5-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]furan-2-carbohydrazide
CID 31725805
5-(4-fluorophenyl)-N-propan-2-ylfuran-2-carboxamide
CID 4290851
[5-(4-aminophenyl)furan-2-yl]-piperidin-1-ylmethanone
CID 70036380
[5-(4-fluorophenyl)furan-2-yl]-morpholin-4-ylmethanone
CID 4307207
N-(4-chlorophenyl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 18871483
5-(4-fluorophenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-2-carboxamide
CID 8967449
4-[5-[[(4-fluorophenyl)methylamino]methyl]furan-2-yl]benzoic acid;hydrochloride
CID 17056095
N-(3-amino-2-methylpropyl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 119995910
[(3R)-3-aminopyrrolidin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone
CID 119412672

Frequently Asked Questions

What is the IUPAC name of [5-(4-aminophenyl)furan-2-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [5-(4-aminophenyl)furan-2-yl]-(4-fluorophenyl)methanone (CID 134836163) is [5-(4-aminophenyl)furan-2-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [5-(4-aminophenyl)furan-2-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [5-(4-aminophenyl)furan-2-yl]-(4-fluorophenyl)methanone is Nc1ccc(-c2ccc(C(=O)c3ccc(F)cc3)o2)cc1.
What is the InChIKey of [5-(4-aminophenyl)furan-2-yl]-(4-fluorophenyl)methanone?
The InChIKey is HFAHNOQQXNXVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO2/c18-13-5-1-12(2-6-13)17(20)16-10-9-15(21-16)11-3-7-14(19)8-4-11/h1-10H,19H2.
What are the key properties of [5-(4-aminophenyl)furan-2-yl]-(4-fluorophenyl)methanone?
[5-(4-aminophenyl)furan-2-yl]-(4-fluorophenyl)methanone has a molecular weight of 281.29 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-aminophenyl)furan-2-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 134836163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).