N-ethyl-4-fluorocyclohepta-1,3,5-triene-1-carboxamide

C10H12FNO — CID 143484621

IUPACN-ethyl-4-fluorocyclohepta-1,3,5-triene-1-carboxamide
SMILESCCNC(=O)C1=CC=C(F)C=CC1
InChIInChI=1S/C10H12FNO/c1-2-12-10(13)8-4-3-5-9(11)7-6-8/h3,5-7H,2,4H2,1H3,(H,12,13)
InChIKeyLRMNEAYRWLFNAN-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.86
Rot. Bonds2

About N-ethyl-4-fluorocyclohepta-1,3,5-triene-1-carboxamide

N-ethyl-4-fluorocyclohepta-1,3,5-triene-1-carboxamide (PubChem CID 143484621) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is N-ethyl-4-fluorocyclohepta-1,3,5-triene-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-fluorocyclohepta-1,3,5-triene-1-carboxamide
PubChem CID143484621
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC NameN-ethyl-4-fluorocyclohepta-1,3,5-triene-1-carboxamide
SMILESCCNC(=O)C1=CC=C(F)C=CC1
InChIInChI=1S/C10H12FNO/c1-2-12-10(13)8-4-3-5-9(11)7-6-8/h3,5-7H,2,4H2,1H3,(H,12,13)
InChIKeyLRMNEAYRWLFNAN-UHFFFAOYSA-N
XLogP1.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-fluorocyclohepta-1,3,5-triene-1-carboxamide?
The IUPAC name of N-ethyl-4-fluorocyclohepta-1,3,5-triene-1-carboxamide (CID 143484621) is N-ethyl-4-fluorocyclohepta-1,3,5-triene-1-carboxamide.
What is the SMILES notation for N-ethyl-4-fluorocyclohepta-1,3,5-triene-1-carboxamide?
The canonical SMILES for N-ethyl-4-fluorocyclohepta-1,3,5-triene-1-carboxamide is CCNC(=O)C1=CC=C(F)C=CC1.
What is the InChIKey of N-ethyl-4-fluorocyclohepta-1,3,5-triene-1-carboxamide?
The InChIKey is LRMNEAYRWLFNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c1-2-12-10(13)8-4-3-5-9(11)7-6-8/h3,5-7H,2,4H2,1H3,(H,12,13).
What are the key properties of N-ethyl-4-fluorocyclohepta-1,3,5-triene-1-carboxamide?
N-ethyl-4-fluorocyclohepta-1,3,5-triene-1-carboxamide has a molecular weight of 181.21 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-fluorocyclohepta-1,3,5-triene-1-carboxamide is sourced from PubChem (CID 143484621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).