N-(4-chlorophenyl)-1-(2-fluorophenyl)cyclobutane-1-carboxamide

C17H15ClFNO — CID 110438567

IUPACN-(4-chlorophenyl)-1-(2-fluorophenyl)cyclobutane-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1(c2ccccc2F)CCC1
InChIInChI=1S/C17H15ClFNO/c18-12-6-8-13(9-7-12)20-16(21)17(10-3-11-17)14-4-1-2-5-15(14)19/h1-2,4-9H,3,10-11H2,(H,20,21)
InChIKeyJMHCWHROIMBXBN-UHFFFAOYSA-N
MW303.76 g/mol
LogP4.54
Rot. Bonds3

About N-(4-chlorophenyl)-1-(2-fluorophenyl)cyclobutane-1-carboxamide

N-(4-chlorophenyl)-1-(2-fluorophenyl)cyclobutane-1-carboxamide (PubChem CID 110438567) has the molecular formula C17H15ClFNO and a molecular weight of 303.76 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-(2-fluorophenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-(2-fluorophenyl)cyclobutane-1-carboxamide
PubChem CID110438567
Molecular FormulaC17H15ClFNO
Molecular Weight303.76 g/mol
Exact Mass303.08
IUPAC NameN-(4-chlorophenyl)-1-(2-fluorophenyl)cyclobutane-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1(c2ccccc2F)CCC1
InChIInChI=1S/C17H15ClFNO/c18-12-6-8-13(9-7-12)20-16(21)17(10-3-11-17)14-4-1-2-5-15(14)19/h1-2,4-9H,3,10-11H2,(H,20,21)
InChIKeyJMHCWHROIMBXBN-UHFFFAOYSA-N
XLogP4.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.76
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-[4-[2-(azepan-1-yl)ethoxy]phenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-(2-fluorophenyl)cyclobutane-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1-(2-fluorophenyl)cyclobutane-1-carboxamide (CID 110438567) is N-(4-chlorophenyl)-1-(2-fluorophenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-(2-fluorophenyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1-(2-fluorophenyl)cyclobutane-1-carboxamide is O=C(Nc1ccc(Cl)cc1)C1(c2ccccc2F)CCC1.
What is the InChIKey of N-(4-chlorophenyl)-1-(2-fluorophenyl)cyclobutane-1-carboxamide?
The InChIKey is JMHCWHROIMBXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO/c18-12-6-8-13(9-7-12)20-16(21)17(10-3-11-17)14-4-1-2-5-15(14)19/h1-2,4-9H,3,10-11H2,(H,20,21).
What are the key properties of N-(4-chlorophenyl)-1-(2-fluorophenyl)cyclobutane-1-carboxamide?
N-(4-chlorophenyl)-1-(2-fluorophenyl)cyclobutane-1-carboxamide has a molecular weight of 303.76 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-(2-fluorophenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 110438567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).