2-(3-fluorocyclobutyl)-N-propan-2-ylbenzamide

C14H18FNO — CID 175796962

IUPAC2-(3-fluorocyclobutyl)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1C1CC(F)C1
InChIInChI=1S/C14H18FNO/c1-9(2)16-14(17)13-6-4-3-5-12(13)10-7-11(15)8-10/h3-6,9-11H,7-8H2,1-2H3,(H,16,17)
InChIKeyHGJWRFULYZXJOI-UHFFFAOYSA-N
MW235.30 g/mol
LogP3.04
Rot. Bonds3

About 2-(3-fluorocyclobutyl)-N-propan-2-ylbenzamide

2-(3-fluorocyclobutyl)-N-propan-2-ylbenzamide (PubChem CID 175796962) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 2-(3-fluorocyclobutyl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-(3-fluorocyclobutyl)-N-propan-2-ylbenzamide
PubChem CID175796962
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name2-(3-fluorocyclobutyl)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1C1CC(F)C1
InChIInChI=1S/C14H18FNO/c1-9(2)16-14(17)13-6-4-3-5-12(13)10-7-11(15)8-10/h3-6,9-11H,7-8H2,1-2H3,(H,16,17)
InChIKeyHGJWRFULYZXJOI-UHFFFAOYSA-N
XLogP3.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorocyclobutyl)-N-propan-2-ylbenzamide?
The IUPAC name of 2-(3-fluorocyclobutyl)-N-propan-2-ylbenzamide (CID 175796962) is 2-(3-fluorocyclobutyl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-(3-fluorocyclobutyl)-N-propan-2-ylbenzamide?
The canonical SMILES for 2-(3-fluorocyclobutyl)-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccccc1C1CC(F)C1.
What is the InChIKey of 2-(3-fluorocyclobutyl)-N-propan-2-ylbenzamide?
The InChIKey is HGJWRFULYZXJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-9(2)16-14(17)13-6-4-3-5-12(13)10-7-11(15)8-10/h3-6,9-11H,7-8H2,1-2H3,(H,16,17).
What are the key properties of 2-(3-fluorocyclobutyl)-N-propan-2-ylbenzamide?
2-(3-fluorocyclobutyl)-N-propan-2-ylbenzamide has a molecular weight of 235.30 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorocyclobutyl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 175796962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).