N-carbamoylbenzamide;1,2,3,4,5,6-hexafluoro-5-propan-2-ylcyclohexa-1,3-diene

C17H16F6N2O2 — CID 174658952

IUPACN-carbamoylbenzamide;1,2,3,4,5,6-hexafluoro-5-propan-2-ylcyclohexa-1,3-diene
SMILESCC(C)C1(F)C(F)=C(F)C(F)=C(F)C1F.NC(=O)NC(=O)c1ccccc1
InChIInChI=1S/C9H8F6.C8H8N2O2/c1-3(2)9(15)7(13)5(11)4(10)6(12)8(9)14;9-8(12)10-7(11)6-4-2-1-3-5-6/h3,7H,1-2H3;1-5H,(H3,9,10,11,12)
InChIKeyYBPKWUPUXZWHRP-UHFFFAOYSA-N
MW394.32 g/mol
LogP4.50
Rot. Bonds2

About N-carbamoylbenzamide;1,2,3,4,5,6-hexafluoro-5-propan-2-ylcyclohexa-1,3-diene

N-carbamoylbenzamide;1,2,3,4,5,6-hexafluoro-5-propan-2-ylcyclohexa-1,3-diene (PubChem CID 174658952) has the molecular formula C17H16F6N2O2 and a molecular weight of 394.32 g/mol. Its IUPAC name is N-carbamoylbenzamide;1,2,3,4,5,6-hexafluoro-5-propan-2-ylcyclohexa-1,3-diene.

Molecular Properties

Compound NameN-carbamoylbenzamide;1,2,3,4,5,6-hexafluoro-5-propan-2-ylcyclohexa-1,3-diene
PubChem CID174658952
Molecular FormulaC17H16F6N2O2
Molecular Weight394.32 g/mol
Exact Mass394.11
IUPAC NameN-carbamoylbenzamide;1,2,3,4,5,6-hexafluoro-5-propan-2-ylcyclohexa-1,3-diene
SMILESCC(C)C1(F)C(F)=C(F)C(F)=C(F)C1F.NC(=O)NC(=O)c1ccccc1
InChIInChI=1S/C9H8F6.C8H8N2O2/c1-3(2)9(15)7(13)5(11)4(10)6(12)8(9)14;9-8(12)10-7(11)6-4-2-1-3-5-6/h3,7H,1-2H3;1-5H,(H3,9,10,11,12)
InChIKeyYBPKWUPUXZWHRP-UHFFFAOYSA-N
XLogP4.50
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.32
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-carbamoylbenzamide;urea
CID 157303801
ethane;N-methylbenzamide;2-methylpropane
CID 161462553
N-carbamoylbenzamide;1,3,4-thiadiazole
CID 174576753
N-[(Z)-2-benzamido-1,2-diphenylethenyl]benzamide
CID 2749417
N-(propan-2-ylcarbamoyl)benzamide
CID 2986554
N-[(2S)-1-amino-1-oxopropan-2-yl]benzamide
CID 12859609
N-methylbenzamide
CID 11954
methyl (2S)-2-benzamidopropanoate
CID 6364617
N-[(Z)-3-amino-1-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 7380729
N-(3-amino-1-chloro-3-oxo-1-phenylprop-1-en-2-yl)benzamide
CID 141166419
N-(1-(18F)fluoropropan-2-yl)(18F)benzamide
CID 177440113
N-(trifluoromethylcarbamoyl)benzamide
CID 154349389

Frequently Asked Questions

What is the IUPAC name of N-carbamoylbenzamide;1,2,3,4,5,6-hexafluoro-5-propan-2-ylcyclohexa-1,3-diene?
The IUPAC name of N-carbamoylbenzamide;1,2,3,4,5,6-hexafluoro-5-propan-2-ylcyclohexa-1,3-diene (CID 174658952) is N-carbamoylbenzamide;1,2,3,4,5,6-hexafluoro-5-propan-2-ylcyclohexa-1,3-diene.
What is the SMILES notation for N-carbamoylbenzamide;1,2,3,4,5,6-hexafluoro-5-propan-2-ylcyclohexa-1,3-diene?
The canonical SMILES for N-carbamoylbenzamide;1,2,3,4,5,6-hexafluoro-5-propan-2-ylcyclohexa-1,3-diene is CC(C)C1(F)C(F)=C(F)C(F)=C(F)C1F.NC(=O)NC(=O)c1ccccc1.
What is the InChIKey of N-carbamoylbenzamide;1,2,3,4,5,6-hexafluoro-5-propan-2-ylcyclohexa-1,3-diene?
The InChIKey is YBPKWUPUXZWHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F6.C8H8N2O2/c1-3(2)9(15)7(13)5(11)4(10)6(12)8(9)14;9-8(12)10-7(11)6-4-2-1-3-5-6/h3,7H,1-2H3;1-5H,(H3,9,10,11,12).
What are the key properties of N-carbamoylbenzamide;1,2,3,4,5,6-hexafluoro-5-propan-2-ylcyclohexa-1,3-diene?
N-carbamoylbenzamide;1,2,3,4,5,6-hexafluoro-5-propan-2-ylcyclohexa-1,3-diene has a molecular weight of 394.32 g/mol, XLogP of 4.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoylbenzamide;1,2,3,4,5,6-hexafluoro-5-propan-2-ylcyclohexa-1,3-diene is sourced from PubChem (CID 174658952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).