N-cyclopropyl-1-(2-fluorophenyl)cyclobutane-1-carboxamide

C14H16FNO — CID 110437552

IUPACN-cyclopropyl-1-(2-fluorophenyl)cyclobutane-1-carboxamide
SMILESO=C(NC1CC1)C1(c2ccccc2F)CCC1
InChIInChI=1S/C14H16FNO/c15-12-5-2-1-4-11(12)14(8-3-9-14)13(17)16-10-6-7-10/h1-2,4-5,10H,3,6-9H2,(H,16,17)
InChIKeyOOTLHNGWBLCPCD-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.53
Rot. Bonds3

About N-cyclopropyl-1-(2-fluorophenyl)cyclobutane-1-carboxamide

N-cyclopropyl-1-(2-fluorophenyl)cyclobutane-1-carboxamide (PubChem CID 110437552) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is N-cyclopropyl-1-(2-fluorophenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(2-fluorophenyl)cyclobutane-1-carboxamide
PubChem CID110437552
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC NameN-cyclopropyl-1-(2-fluorophenyl)cyclobutane-1-carboxamide
SMILESO=C(NC1CC1)C1(c2ccccc2F)CCC1
InChIInChI=1S/C14H16FNO/c15-12-5-2-1-4-11(12)14(8-3-9-14)13(17)16-10-6-7-10/h1-2,4-5,10H,3,6-9H2,(H,16,17)
InChIKeyOOTLHNGWBLCPCD-UHFFFAOYSA-N
XLogP2.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(2-fluorophenyl)cyclobutane-1-carboxamide?
The IUPAC name of N-cyclopropyl-1-(2-fluorophenyl)cyclobutane-1-carboxamide (CID 110437552) is N-cyclopropyl-1-(2-fluorophenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(2-fluorophenyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(2-fluorophenyl)cyclobutane-1-carboxamide is O=C(NC1CC1)C1(c2ccccc2F)CCC1.
What is the InChIKey of N-cyclopropyl-1-(2-fluorophenyl)cyclobutane-1-carboxamide?
The InChIKey is OOTLHNGWBLCPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c15-12-5-2-1-4-11(12)14(8-3-9-14)13(17)16-10-6-7-10/h1-2,4-5,10H,3,6-9H2,(H,16,17).
What are the key properties of N-cyclopropyl-1-(2-fluorophenyl)cyclobutane-1-carboxamide?
N-cyclopropyl-1-(2-fluorophenyl)cyclobutane-1-carboxamide has a molecular weight of 233.29 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(2-fluorophenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 110437552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).