N-(3-ethynylphenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide

C19H16FNO — CID 46535412

IUPACN-(3-ethynylphenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
SMILESC#Cc1cccc(NC(=O)C2(c3ccc(F)cc3)CCC2)c1
InChIInChI=1S/C19H16FNO/c1-2-14-5-3-6-17(13-14)21-18(22)19(11-4-12-19)15-7-9-16(20)10-8-15/h1,3,5-10,13H,4,11-12H2,(H,21,22)
InChIKeyVOEZDZNAIITZIL-UHFFFAOYSA-N
MW293.34 g/mol
LogP3.87
Rot. Bonds3

About N-(3-ethynylphenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide

N-(3-ethynylphenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide (PubChem CID 46535412) has the molecular formula C19H16FNO and a molecular weight of 293.34 g/mol. Its IUPAC name is N-(3-ethynylphenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(3-ethynylphenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
PubChem CID46535412
Molecular FormulaC19H16FNO
Molecular Weight293.34 g/mol
Exact Mass293.12
IUPAC NameN-(3-ethynylphenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
SMILESC#Cc1cccc(NC(=O)C2(c3ccc(F)cc3)CCC2)c1
InChIInChI=1S/C19H16FNO/c1-2-14-5-3-6-17(13-14)21-18(22)19(11-4-12-19)15-7-9-16(20)10-8-15/h1,3,5-10,13H,4,11-12H2,(H,21,22)
InChIKeyVOEZDZNAIITZIL-UHFFFAOYSA-N
XLogP3.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-N-(3-ethynylphenyl)cyclobutane-1-carboxamide
CID 55514323
N-(3-acetylphenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 110439190
N-[2-(3-ethynylanilino)-2-oxoethyl]-1-(3-fluorophenyl)-N-methylcyclobutane-1-carboxamide
CID 55992203
N-(2,6-difluorophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 110439228
1-(4-fluorophenyl)-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]cyclobutane-1-carboxamide
CID 134025617
N-(4-bromophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 110439174
1-(4-fluorophenyl)-N-(3-morpholin-4-ylphenyl)cyclopentane-1-carboxamide
CID 55979337
[2-(3-cyanoanilino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 7866415
1-(3-chlorophenyl)-N-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 31779380
N-[3-(1,3-dithiolan-2-yl)phenyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 55559839
1-(4-fluorophenyl)-N-[4-(2-methylpropanoylamino)phenyl]cyclobutane-1-carboxamide
CID 55539101
N-(3-acetamidophenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 26114516

Frequently Asked Questions

What is the IUPAC name of N-(3-ethynylphenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide?
The IUPAC name of N-(3-ethynylphenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide (CID 46535412) is N-(3-ethynylphenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-(3-ethynylphenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-(3-ethynylphenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide is C#Cc1cccc(NC(=O)C2(c3ccc(F)cc3)CCC2)c1.
What is the InChIKey of N-(3-ethynylphenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide?
The InChIKey is VOEZDZNAIITZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO/c1-2-14-5-3-6-17(13-14)21-18(22)19(11-4-12-19)15-7-9-16(20)10-8-15/h1,3,5-10,13H,4,11-12H2,(H,21,22).
What are the key properties of N-(3-ethynylphenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide?
N-(3-ethynylphenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide has a molecular weight of 293.34 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethynylphenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 46535412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).