N-cyclopentyl-2-fluoro-4-methylidenecyclohexa-1,5-diene-1-carboxamide

C13H16FNO — CID 123846307

IUPACN-cyclopentyl-2-fluoro-4-methylidenecyclohexa-1,5-diene-1-carboxamide
SMILESC=C1C=CC(C(=O)NC2CCCC2)=C(F)C1
InChIInChI=1S/C13H16FNO/c1-9-6-7-11(12(14)8-9)13(16)15-10-4-2-3-5-10/h6-7,10H,1-5,8H2,(H,15,16)
InChIKeyNYKMNSLVHWGEQG-UHFFFAOYSA-N
MW221.27 g/mol
LogP2.78
Rot. Bonds2

About N-cyclopentyl-2-fluoro-4-methylidenecyclohexa-1,5-diene-1-carboxamide

N-cyclopentyl-2-fluoro-4-methylidenecyclohexa-1,5-diene-1-carboxamide (PubChem CID 123846307) has the molecular formula C13H16FNO and a molecular weight of 221.27 g/mol. Its IUPAC name is N-cyclopentyl-2-fluoro-4-methylidenecyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-fluoro-4-methylidenecyclohexa-1,5-diene-1-carboxamide
PubChem CID123846307
Molecular FormulaC13H16FNO
Molecular Weight221.27 g/mol
Exact Mass221.12
IUPAC NameN-cyclopentyl-2-fluoro-4-methylidenecyclohexa-1,5-diene-1-carboxamide
SMILESC=C1C=CC(C(=O)NC2CCCC2)=C(F)C1
InChIInChI=1S/C13H16FNO/c1-9-6-7-11(12(14)8-9)13(16)15-10-4-2-3-5-10/h6-7,10H,1-5,8H2,(H,15,16)
InChIKeyNYKMNSLVHWGEQG-UHFFFAOYSA-N
XLogP2.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-fluoro-4-methylidenecyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of N-cyclopentyl-2-fluoro-4-methylidenecyclohexa-1,5-diene-1-carboxamide (CID 123846307) is N-cyclopentyl-2-fluoro-4-methylidenecyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-fluoro-4-methylidenecyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for N-cyclopentyl-2-fluoro-4-methylidenecyclohexa-1,5-diene-1-carboxamide is C=C1C=CC(C(=O)NC2CCCC2)=C(F)C1.
What is the InChIKey of N-cyclopentyl-2-fluoro-4-methylidenecyclohexa-1,5-diene-1-carboxamide?
The InChIKey is NYKMNSLVHWGEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c1-9-6-7-11(12(14)8-9)13(16)15-10-4-2-3-5-10/h6-7,10H,1-5,8H2,(H,15,16).
What are the key properties of N-cyclopentyl-2-fluoro-4-methylidenecyclohexa-1,5-diene-1-carboxamide?
N-cyclopentyl-2-fluoro-4-methylidenecyclohexa-1,5-diene-1-carboxamide has a molecular weight of 221.27 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-fluoro-4-methylidenecyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 123846307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).