N-butan-2-yl-3-fluoro-3-methylcyclopentane-1-carboxamide

C11H20FNO — CID 123631512

IUPACN-butan-2-yl-3-fluoro-3-methylcyclopentane-1-carboxamide
SMILESCCC(C)NC(=O)C1CCC(C)(F)C1
InChIInChI=1S/C11H20FNO/c1-4-8(2)13-10(14)9-5-6-11(3,12)7-9/h8-9H,4-7H2,1-3H3,(H,13,14)
InChIKeyMPMIROCPSFUWCJ-UHFFFAOYSA-N
MW201.28 g/mol
LogP2.43
Rot. Bonds3

About N-butan-2-yl-3-fluoro-3-methylcyclopentane-1-carboxamide

N-butan-2-yl-3-fluoro-3-methylcyclopentane-1-carboxamide (PubChem CID 123631512) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is N-butan-2-yl-3-fluoro-3-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-3-fluoro-3-methylcyclopentane-1-carboxamide
PubChem CID123631512
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC NameN-butan-2-yl-3-fluoro-3-methylcyclopentane-1-carboxamide
SMILESCCC(C)NC(=O)C1CCC(C)(F)C1
InChIInChI=1S/C11H20FNO/c1-4-8(2)13-10(14)9-5-6-11(3,12)7-9/h8-9H,4-7H2,1-3H3,(H,13,14)
InChIKeyMPMIROCPSFUWCJ-UHFFFAOYSA-N
XLogP2.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-fluoro-3-methylcyclopentane-1-carboxamide?
The IUPAC name of N-butan-2-yl-3-fluoro-3-methylcyclopentane-1-carboxamide (CID 123631512) is N-butan-2-yl-3-fluoro-3-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-butan-2-yl-3-fluoro-3-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-butan-2-yl-3-fluoro-3-methylcyclopentane-1-carboxamide is CCC(C)NC(=O)C1CCC(C)(F)C1.
What is the InChIKey of N-butan-2-yl-3-fluoro-3-methylcyclopentane-1-carboxamide?
The InChIKey is MPMIROCPSFUWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO/c1-4-8(2)13-10(14)9-5-6-11(3,12)7-9/h8-9H,4-7H2,1-3H3,(H,13,14).
What are the key properties of N-butan-2-yl-3-fluoro-3-methylcyclopentane-1-carboxamide?
N-butan-2-yl-3-fluoro-3-methylcyclopentane-1-carboxamide has a molecular weight of 201.28 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-fluoro-3-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 123631512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).