N-(4-cyclopentyl-5-fluorocyclohepta-2,4-dien-1-yl)acetamide

C14H20FNO — CID 90923872

IUPACN-(4-cyclopentyl-5-fluorocyclohepta-2,4-dien-1-yl)acetamide
SMILESCC(=O)NC1C=CC(C2CCCC2)=C(F)CC1
InChIInChI=1S/C14H20FNO/c1-10(17)16-12-6-8-13(14(15)9-7-12)11-4-2-3-5-11/h6,8,11-12H,2-5,7,9H2,1H3,(H,16,17)
InChIKeyATMZNUVSXIJCLB-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.25
Rot. Bonds2

About N-(4-cyclopentyl-5-fluorocyclohepta-2,4-dien-1-yl)acetamide

N-(4-cyclopentyl-5-fluorocyclohepta-2,4-dien-1-yl)acetamide (PubChem CID 90923872) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is N-(4-cyclopentyl-5-fluorocyclohepta-2,4-dien-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-cyclopentyl-5-fluorocyclohepta-2,4-dien-1-yl)acetamide
PubChem CID90923872
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC NameN-(4-cyclopentyl-5-fluorocyclohepta-2,4-dien-1-yl)acetamide
SMILESCC(=O)NC1C=CC(C2CCCC2)=C(F)CC1
InChIInChI=1S/C14H20FNO/c1-10(17)16-12-6-8-13(14(15)9-7-12)11-4-2-3-5-11/h6,8,11-12H,2-5,7,9H2,1H3,(H,16,17)
InChIKeyATMZNUVSXIJCLB-UHFFFAOYSA-N
XLogP3.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4,6-dimethyl-3,5-di(propan-2-yl)cyclohexa-2,4-dien-1-yl]-2,2,2-trifluoroacetamide
CID 90693715
N-[6,7-dimethyl-4-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydropentalen-1-yl]cyclohepta-2,4-dien-1-yl]-2-methylpropanamide
CID 123865430
N-(6-fluoro-3,4-dimethylocta-4,6-dien-2-yl)propanamide
CID 123895817
N-[(6R)-5,6-dimethyl-3-(trifluoromethyl)cyclohept-2-en-1-yl]acetamide
CID 158607990
N-[1-(3,5-dimethylcyclohexa-2,4-dien-1-yl)ethyl]-2,2,2-trifluoroacetamide
CID 163710931
ethane;N-[(2E,3Z)-2-ethylidene-3-prop-2-enylidenecyclopentyl]-2,2,2-trifluoroacetamide
CID 164603359
N-[1-(2,4-difluoro-6-methylcyclohexa-1,3-dien-1-yl)ethyl]-2-methylpropanamide
CID 170424031
N-(2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-yl)acetamide
CID 14993078
N-[4-(aminomethyl)-2-methylcycloocta-3,5-dien-1-yl]-2,2,2-trifluoroacetamide
CID 162578641
N-(8-fluoro-1,2,3,5-tetrahydroazulen-1-yl)acetamide
CID 178700039
N-[1-(2-ethylcyclopenta-1,3-dien-1-yl)pentyl]acetamide
CID 53958251
N-[1-(2-butylcyclopenta-1,3-dien-1-yl)-3-methylbutyl]propanamide
CID 54109922

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopentyl-5-fluorocyclohepta-2,4-dien-1-yl)acetamide?
The IUPAC name of N-(4-cyclopentyl-5-fluorocyclohepta-2,4-dien-1-yl)acetamide (CID 90923872) is N-(4-cyclopentyl-5-fluorocyclohepta-2,4-dien-1-yl)acetamide.
What is the SMILES notation for N-(4-cyclopentyl-5-fluorocyclohepta-2,4-dien-1-yl)acetamide?
The canonical SMILES for N-(4-cyclopentyl-5-fluorocyclohepta-2,4-dien-1-yl)acetamide is CC(=O)NC1C=CC(C2CCCC2)=C(F)CC1.
What is the InChIKey of N-(4-cyclopentyl-5-fluorocyclohepta-2,4-dien-1-yl)acetamide?
The InChIKey is ATMZNUVSXIJCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-10(17)16-12-6-8-13(14(15)9-7-12)11-4-2-3-5-11/h6,8,11-12H,2-5,7,9H2,1H3,(H,16,17).
What are the key properties of N-(4-cyclopentyl-5-fluorocyclohepta-2,4-dien-1-yl)acetamide?
N-(4-cyclopentyl-5-fluorocyclohepta-2,4-dien-1-yl)acetamide has a molecular weight of 237.32 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopentyl-5-fluorocyclohepta-2,4-dien-1-yl)acetamide is sourced from PubChem (CID 90923872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).