1-(2-fluorophenyl)-N-pentylcyclobutane-1-carboxamide

C16H22FNO — CID 110437588

IUPAC1-(2-fluorophenyl)-N-pentylcyclobutane-1-carboxamide
SMILESCCCCCNC(=O)C1(c2ccccc2F)CCC1
InChIInChI=1S/C16H22FNO/c1-2-3-6-12-18-15(19)16(10-7-11-16)13-8-4-5-9-14(13)17/h4-5,8-9H,2-3,6-7,10-12H2,1H3,(H,18,19)
InChIKeyRJQTUZQPHCQMHS-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.55
Rot. Bonds6

About 1-(2-fluorophenyl)-N-pentylcyclobutane-1-carboxamide

1-(2-fluorophenyl)-N-pentylcyclobutane-1-carboxamide (PubChem CID 110437588) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-pentylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-pentylcyclobutane-1-carboxamide
PubChem CID110437588
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name1-(2-fluorophenyl)-N-pentylcyclobutane-1-carboxamide
SMILESCCCCCNC(=O)C1(c2ccccc2F)CCC1
InChIInChI=1S/C16H22FNO/c1-2-3-6-12-18-15(19)16(10-7-11-16)13-8-4-5-9-14(13)17/h4-5,8-9H,2-3,6-7,10-12H2,1H3,(H,18,19)
InChIKeyRJQTUZQPHCQMHS-UHFFFAOYSA-N
XLogP3.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2-fluorophenyl)-N-pentylcyclobutane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-fluorophenyl)-N-(3-formamidopropyl)cyclopentane-1-carboxamide
CID 110436859
1-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)butyl]cyclobutane-1-carboxamide
CID 110437610
1-(2-fluorophenyl)-N-(5-hydroxypentyl)cyclopropane-1-carboxamide
CID 110485230
1-(2-fluorophenyl)-N-(3-methoxypropyl)cyclopentane-1-carboxamide
CID 110438277
1-(2-fluorophenyl)-N-(2-hydroxyethyl)cyclopentane-1-carboxamide
CID 110438309
N-(2-acetamidoethyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide
CID 110438323
N-[3-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]propyl]benzamide
CID 56793387
1-(2-fluorophenyl)-N-(2-methylsulfonylethyl)cyclopropane-1-carboxamide
CID 110612491
N-butyl-1-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide
CID 110486488
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 16673287
1-(2-fluorophenyl)-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 110438283
1-N'-(2,6-difluorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979858

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-pentylcyclobutane-1-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-pentylcyclobutane-1-carboxamide (CID 110437588) is 1-(2-fluorophenyl)-N-pentylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-pentylcyclobutane-1-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-pentylcyclobutane-1-carboxamide is CCCCCNC(=O)C1(c2ccccc2F)CCC1.
What is the InChIKey of 1-(2-fluorophenyl)-N-pentylcyclobutane-1-carboxamide?
The InChIKey is RJQTUZQPHCQMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-2-3-6-12-18-15(19)16(10-7-11-16)13-8-4-5-9-14(13)17/h4-5,8-9H,2-3,6-7,10-12H2,1H3,(H,18,19).
What are the key properties of 1-(2-fluorophenyl)-N-pentylcyclobutane-1-carboxamide?
1-(2-fluorophenyl)-N-pentylcyclobutane-1-carboxamide has a molecular weight of 263.36 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-pentylcyclobutane-1-carboxamide is sourced from PubChem (CID 110437588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).