4-(cyclohepten-1-yl)-3-fluoro-N,N-dimethylcyclohexa-1,3-diene-1-carboxamide

C16H22FNO — CID 177356279

IUPAC4-(cyclohepten-1-yl)-3-fluoro-N,N-dimethylcyclohexa-1,3-diene-1-carboxamide
SMILESCN(C)C(=O)C1=CC(F)=C(C2=CCCCCC2)CC1
InChIInChI=1S/C16H22FNO/c1-18(2)16(19)13-9-10-14(15(17)11-13)12-7-5-3-4-6-8-12/h7,11H,3-6,8-10H2,1-2H3
InChIKeyGFUIGPLGFURCPX-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.91
Rot. Bonds2

About 4-(cyclohepten-1-yl)-3-fluoro-N,N-dimethylcyclohexa-1,3-diene-1-carboxamide

4-(cyclohepten-1-yl)-3-fluoro-N,N-dimethylcyclohexa-1,3-diene-1-carboxamide (PubChem CID 177356279) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 4-(cyclohepten-1-yl)-3-fluoro-N,N-dimethylcyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name4-(cyclohepten-1-yl)-3-fluoro-N,N-dimethylcyclohexa-1,3-diene-1-carboxamide
PubChem CID177356279
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name4-(cyclohepten-1-yl)-3-fluoro-N,N-dimethylcyclohexa-1,3-diene-1-carboxamide
SMILESCN(C)C(=O)C1=CC(F)=C(C2=CCCCCC2)CC1
InChIInChI=1S/C16H22FNO/c1-18(2)16(19)13-9-10-14(15(17)11-13)12-7-5-3-4-6-8-12/h7,11H,3-6,8-10H2,1-2H3
InChIKeyGFUIGPLGFURCPX-UHFFFAOYSA-N
XLogP3.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-(cyclohepten-1-yl)-3-fluoro-N,N-dimethylcyclohexa-1,3-diene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohepten-1-yl)-3-fluoro-N,N-dimethylcyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of 4-(cyclohepten-1-yl)-3-fluoro-N,N-dimethylcyclohexa-1,3-diene-1-carboxamide (CID 177356279) is 4-(cyclohepten-1-yl)-3-fluoro-N,N-dimethylcyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for 4-(cyclohepten-1-yl)-3-fluoro-N,N-dimethylcyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for 4-(cyclohepten-1-yl)-3-fluoro-N,N-dimethylcyclohexa-1,3-diene-1-carboxamide is CN(C)C(=O)C1=CC(F)=C(C2=CCCCCC2)CC1.
What is the InChIKey of 4-(cyclohepten-1-yl)-3-fluoro-N,N-dimethylcyclohexa-1,3-diene-1-carboxamide?
The InChIKey is GFUIGPLGFURCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-18(2)16(19)13-9-10-14(15(17)11-13)12-7-5-3-4-6-8-12/h7,11H,3-6,8-10H2,1-2H3.
What are the key properties of 4-(cyclohepten-1-yl)-3-fluoro-N,N-dimethylcyclohexa-1,3-diene-1-carboxamide?
4-(cyclohepten-1-yl)-3-fluoro-N,N-dimethylcyclohexa-1,3-diene-1-carboxamide has a molecular weight of 263.36 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohepten-1-yl)-3-fluoro-N,N-dimethylcyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 177356279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).