N-(3-fluoro-4-propan-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide

C17H22FNO — CID 167232925

IUPACN-(3-fluoro-4-propan-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(C)c1ccc(NC(=O)C2CC3CCC2C3)cc1F
InChIInChI=1S/C17H22FNO/c1-10(2)14-6-5-13(9-16(14)18)19-17(20)15-8-11-3-4-12(15)7-11/h5-6,9-12,15H,3-4,7-8H2,1-2H3,(H,19,20)
InChIKeyZKDMTHKEVPKGPH-UHFFFAOYSA-N
MW275.37 g/mol
LogP4.32
Rot. Bonds3

About N-(3-fluoro-4-propan-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide

N-(3-fluoro-4-propan-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 167232925) has the molecular formula C17H22FNO and a molecular weight of 275.37 g/mol. Its IUPAC name is N-(3-fluoro-4-propan-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-propan-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID167232925
Molecular FormulaC17H22FNO
Molecular Weight275.37 g/mol
Exact Mass275.17
IUPAC NameN-(3-fluoro-4-propan-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(C)c1ccc(NC(=O)C2CC3CCC2C3)cc1F
InChIInChI=1S/C17H22FNO/c1-10(2)14-6-5-13(9-16(14)18)19-17(20)15-8-11-3-4-12(15)7-11/h5-6,9-12,15H,3-4,7-8H2,1-2H3,(H,19,20)
InChIKeyZKDMTHKEVPKGPH-UHFFFAOYSA-N
XLogP4.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-propan-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(3-fluoro-4-propan-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 167232925) is N-(3-fluoro-4-propan-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-propan-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(3-fluoro-4-propan-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide is CC(C)c1ccc(NC(=O)C2CC3CCC2C3)cc1F.
What is the InChIKey of N-(3-fluoro-4-propan-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is ZKDMTHKEVPKGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO/c1-10(2)14-6-5-13(9-16(14)18)19-17(20)15-8-11-3-4-12(15)7-11/h5-6,9-12,15H,3-4,7-8H2,1-2H3,(H,19,20).
What are the key properties of N-(3-fluoro-4-propan-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
N-(3-fluoro-4-propan-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 275.37 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-propan-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 167232925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).