N-(2-carbamoylphenyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide

C14H7F11N2O2 — CID 4582177

IUPACN-(2-carbamoylphenyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide
SMILESNC(=O)c1ccccc1NC(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C14H7F11N2O2/c15-9(8(29)27-6-4-2-1-3-5(6)7(26)28)10(16,17)12(20,21)14(24,25)13(22,23)11(9,18)19/h1-4H,(H2,26,28)(H,27,29)
InChIKeyLCUVJSFZAMNYPN-UHFFFAOYSA-N
MW444.20 g/mol
LogP3.62
Rot. Bonds3

About N-(2-carbamoylphenyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide

N-(2-carbamoylphenyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide (PubChem CID 4582177) has the molecular formula C14H7F11N2O2 and a molecular weight of 444.20 g/mol. Its IUPAC name is N-(2-carbamoylphenyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-carbamoylphenyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide
PubChem CID4582177
Molecular FormulaC14H7F11N2O2
Molecular Weight444.20 g/mol
Exact Mass444.03
IUPAC NameN-(2-carbamoylphenyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide
SMILESNC(=O)c1ccccc1NC(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C14H7F11N2O2/c15-9(8(29)27-6-4-2-1-3-5(6)7(26)28)10(16,17)12(20,21)14(24,25)13(22,23)11(9,18)19/h1-4H,(H2,26,28)(H,27,29)
InChIKeyLCUVJSFZAMNYPN-UHFFFAOYSA-N
XLogP3.62
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.20
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-(chloroamino)benzamide
CID 54562633
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CID 115434729
2-benzamidobenzamide
CID 702115
2-(3-aminopropanoylamino)benzamide
CID 22692052
1-(aminomethyl)-N-(2-carbamoylphenyl)cycloheptane-1-carboxamide
CID 115443739
4-N-(2-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 71944310
2-[[4-(bromomethyl)benzoyl]amino]benzamide
CID 102850971
4-(aminomethyl)-N-(2-carbamoylphenyl)oxane-4-carboxamide
CID 115438930
2-[(4-hydroxybenzoyl)amino]benzamide
CID 110462650
2-(2-bromopropanoylamino)benzamide
CID 14588064
2-[(1-methyl-4-propan-2-ylcyclohexanecarbonyl)amino]benzamide
CID 140535571

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoylphenyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide?
The IUPAC name of N-(2-carbamoylphenyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide (CID 4582177) is N-(2-carbamoylphenyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-carbamoylphenyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide?
The canonical SMILES for N-(2-carbamoylphenyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide is NC(=O)c1ccccc1NC(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of N-(2-carbamoylphenyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide?
The InChIKey is LCUVJSFZAMNYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F11N2O2/c15-9(8(29)27-6-4-2-1-3-5(6)7(26)28)10(16,17)12(20,21)14(24,25)13(22,23)11(9,18)19/h1-4H,(H2,26,28)(H,27,29).
What are the key properties of N-(2-carbamoylphenyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide?
N-(2-carbamoylphenyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide has a molecular weight of 444.20 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoylphenyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide is sourced from PubChem (CID 4582177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).