(2-amino-5-fluorophenyl)-(4-cyclobutylphenyl)methanone

C17H16FNO — CID 116505707

IUPAC(2-amino-5-fluorophenyl)-(4-cyclobutylphenyl)methanone
SMILESNc1ccc(F)cc1C(=O)c1ccc(C2CCC2)cc1
InChIInChI=1S/C17H16FNO/c18-14-8-9-16(19)15(10-14)17(20)13-6-4-12(5-7-13)11-2-1-3-11/h4-11H,1-3,19H2
InChIKeyNUPOXPTXWBRAHR-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.91
Rot. Bonds3

About (2-amino-5-fluorophenyl)-(4-cyclobutylphenyl)methanone

(2-amino-5-fluorophenyl)-(4-cyclobutylphenyl)methanone (PubChem CID 116505707) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is (2-amino-5-fluorophenyl)-(4-cyclobutylphenyl)methanone.

Molecular Properties

Compound Name(2-amino-5-fluorophenyl)-(4-cyclobutylphenyl)methanone
PubChem CID116505707
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Name(2-amino-5-fluorophenyl)-(4-cyclobutylphenyl)methanone
SMILESNc1ccc(F)cc1C(=O)c1ccc(C2CCC2)cc1
InChIInChI=1S/C17H16FNO/c18-14-8-9-16(19)15(10-14)17(20)13-6-4-12(5-7-13)11-2-1-3-11/h4-11H,1-3,19H2
InChIKeyNUPOXPTXWBRAHR-UHFFFAOYSA-N
XLogP3.91
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(2-amino-5-bromophenyl)-(4-cyclobutylphenyl)methanone
CID 116505708
(2-amino-5-fluorophenyl)-(4-bromophenyl)methanone
CID 13408104
(2-amino-5-fluorophenyl)-(4-methylphenyl)methanone
CID 13408102
(2-amino-5-fluorophenyl)-(3,5-difluorophenyl)methanone
CID 82684855
(2-amino-5-fluorophenyl)-naphthalen-2-ylmethanone
CID 82685979
(4-cyclobutylphenyl)-(2,3,4-trifluorophenyl)methanone
CID 115807772
(2-amino-5-hydroxyphenyl)-(4-fluorophenyl)methanone
CID 105489008
(4-cyclobutylphenyl)-(2,5-dibromothiophen-3-yl)methanone
CID 107967818
(3-amino-5-bromophenyl)-(4-cyclobutylphenyl)methanone
CID 116597248
2-amino-N-cyclopropyl-5-fluorobenzamide
CID 22493342
2-(4-cyclobutylphenyl)-5-fluoroaniline
CID 107626896
[3,5-bis(4-cyclohexylbenzoyl)phenyl]-(4-cyclohexylphenyl)methanone
CID 3766004

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-fluorophenyl)-(4-cyclobutylphenyl)methanone?
The IUPAC name of (2-amino-5-fluorophenyl)-(4-cyclobutylphenyl)methanone (CID 116505707) is (2-amino-5-fluorophenyl)-(4-cyclobutylphenyl)methanone.
What is the SMILES notation for (2-amino-5-fluorophenyl)-(4-cyclobutylphenyl)methanone?
The canonical SMILES for (2-amino-5-fluorophenyl)-(4-cyclobutylphenyl)methanone is Nc1ccc(F)cc1C(=O)c1ccc(C2CCC2)cc1.
What is the InChIKey of (2-amino-5-fluorophenyl)-(4-cyclobutylphenyl)methanone?
The InChIKey is NUPOXPTXWBRAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO/c18-14-8-9-16(19)15(10-14)17(20)13-6-4-12(5-7-13)11-2-1-3-11/h4-11H,1-3,19H2.
What are the key properties of (2-amino-5-fluorophenyl)-(4-cyclobutylphenyl)methanone?
(2-amino-5-fluorophenyl)-(4-cyclobutylphenyl)methanone has a molecular weight of 269.32 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-fluorophenyl)-(4-cyclobutylphenyl)methanone is sourced from PubChem (CID 116505707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).