1-[1-(4-aminophenyl)cyclopropyl]-2-(5-chloro-2-fluorophenyl)ethanone

C17H15ClFNO — CID 103052471

IUPAC1-[1-(4-aminophenyl)cyclopropyl]-2-(5-chloro-2-fluorophenyl)ethanone
SMILESNc1ccc(C2(C(=O)Cc3cc(Cl)ccc3F)CC2)cc1
InChIInChI=1S/C17H15ClFNO/c18-13-3-6-15(19)11(9-13)10-16(21)17(7-8-17)12-1-4-14(20)5-2-12/h1-6,9H,7-8,10,20H2
InChIKeyUDQITGWRXALVDE-UHFFFAOYSA-N
MW303.76 g/mol
LogP3.90
Rot. Bonds4

About 1-[1-(4-aminophenyl)cyclopropyl]-2-(5-chloro-2-fluorophenyl)ethanone

1-[1-(4-aminophenyl)cyclopropyl]-2-(5-chloro-2-fluorophenyl)ethanone (PubChem CID 103052471) has the molecular formula C17H15ClFNO and a molecular weight of 303.76 g/mol. Its IUPAC name is 1-[1-(4-aminophenyl)cyclopropyl]-2-(5-chloro-2-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[1-(4-aminophenyl)cyclopropyl]-2-(5-chloro-2-fluorophenyl)ethanone
PubChem CID103052471
Molecular FormulaC17H15ClFNO
Molecular Weight303.76 g/mol
Exact Mass303.08
IUPAC Name1-[1-(4-aminophenyl)cyclopropyl]-2-(5-chloro-2-fluorophenyl)ethanone
SMILESNc1ccc(C2(C(=O)Cc3cc(Cl)ccc3F)CC2)cc1
InChIInChI=1S/C17H15ClFNO/c18-13-3-6-15(19)11(9-13)10-16(21)17(7-8-17)12-1-4-14(20)5-2-12/h1-6,9H,7-8,10,20H2
InChIKeyUDQITGWRXALVDE-UHFFFAOYSA-N
XLogP3.90
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.76
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(5-chloro-2-fluorophenyl)-1-(1-methylcyclopropyl)ethanone
CID 103048097
1-[1-(4-aminophenyl)cyclopropyl]-2-(2,6-dimethylphenyl)ethanone
CID 116611713
2-(2-chloro-3-fluorophenyl)-1-(1-phenylcyclopropyl)ethanone
CID 115983494
1-(4-aminophenyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 99706799
1-(1-adamantyl)-2-(5-chloro-2-fluorophenyl)ethanone
CID 103047976
1-(4-aminophenyl)-N-(2-bromo-5-chlorophenyl)cyclopropane-1-carboxamide
CID 115913859
[1-(4-aminophenyl)cyclopropyl]-(5-chloro-2-methoxyphenyl)methanone
CID 116611778
[1-(4-aminophenyl)cyclopropyl]-(2-fluoro-5-methylphenyl)methanone
CID 116611701
1-[1-(4-aminophenyl)cyclopropyl]-2-(3-methoxyphenyl)ethanone
CID 116611695
1-(4-aminophenyl)-N-[(3-chlorophenyl)methyl]cyclopropane-1-carboxamide
CID 115913331
1-[1-(4-aminophenyl)cyclopropyl]-2-(1,3-thiazol-5-yl)ethanone
CID 116611743
1-(4-chlorophenyl)cyclopropane-1-carbonyl fluoride
CID 20724884

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-aminophenyl)cyclopropyl]-2-(5-chloro-2-fluorophenyl)ethanone?
The IUPAC name of 1-[1-(4-aminophenyl)cyclopropyl]-2-(5-chloro-2-fluorophenyl)ethanone (CID 103052471) is 1-[1-(4-aminophenyl)cyclopropyl]-2-(5-chloro-2-fluorophenyl)ethanone.
What is the SMILES notation for 1-[1-(4-aminophenyl)cyclopropyl]-2-(5-chloro-2-fluorophenyl)ethanone?
The canonical SMILES for 1-[1-(4-aminophenyl)cyclopropyl]-2-(5-chloro-2-fluorophenyl)ethanone is Nc1ccc(C2(C(=O)Cc3cc(Cl)ccc3F)CC2)cc1.
What is the InChIKey of 1-[1-(4-aminophenyl)cyclopropyl]-2-(5-chloro-2-fluorophenyl)ethanone?
The InChIKey is UDQITGWRXALVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO/c18-13-3-6-15(19)11(9-13)10-16(21)17(7-8-17)12-1-4-14(20)5-2-12/h1-6,9H,7-8,10,20H2.
What are the key properties of 1-[1-(4-aminophenyl)cyclopropyl]-2-(5-chloro-2-fluorophenyl)ethanone?
1-[1-(4-aminophenyl)cyclopropyl]-2-(5-chloro-2-fluorophenyl)ethanone has a molecular weight of 303.76 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-aminophenyl)cyclopropyl]-2-(5-chloro-2-fluorophenyl)ethanone is sourced from PubChem (CID 103052471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).