N-[2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl]benzamide

C12H11F5N2O2 — CID 151467935

IUPACN-[2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl]benzamide
SMILESO=C(NCCNC(=O)C(F)(F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C12H11F5N2O2/c13-11(14,12(15,16)17)10(21)19-7-6-18-9(20)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,18,20)(H,19,21)
InChIKeyPJVVPIMNVMBRSZ-UHFFFAOYSA-N
MW310.22 g/mol
LogP1.73
Rot. Bonds5

About N-[2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl]benzamide

N-[2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl]benzamide (PubChem CID 151467935) has the molecular formula C12H11F5N2O2 and a molecular weight of 310.22 g/mol. Its IUPAC name is N-[2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl]benzamide
PubChem CID151467935
Molecular FormulaC12H11F5N2O2
Molecular Weight310.22 g/mol
Exact Mass310.07
IUPAC NameN-[2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl]benzamide
SMILESO=C(NCCNC(=O)C(F)(F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C12H11F5N2O2/c13-11(14,12(15,16)17)10(21)19-7-6-18-9(20)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,18,20)(H,19,21)
InChIKeyPJVVPIMNVMBRSZ-UHFFFAOYSA-N
XLogP1.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Betamipron
CID 71651
N-Methylbenzamide
CID 11954
1-(4-Benzoyl-1-piperazinyl)-1-propanone
CID 4223812
N-Propylbenzamide
CID 25354
N-benzoylglycinate
CID 4402710
1-(3,4-Difluorobenzoyl)-4-methylpiperazine
CID 550711
Amylase
CID 71475145
N-Ethylbenzamide
CID 11959
N-Butylbenzamide
CID 76024
1-Benzoylpiperazine
CID 762654
N-Benzoylbenzylamine
CID 73878
N-Isopropylbenzamide
CID 79503

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl]benzamide?
The IUPAC name of N-[2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl]benzamide (CID 151467935) is N-[2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl]benzamide.
What is the SMILES notation for N-[2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl]benzamide?
The canonical SMILES for N-[2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl]benzamide is O=C(NCCNC(=O)C(F)(F)C(F)(F)F)c1ccccc1.
What is the InChIKey of N-[2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl]benzamide?
The InChIKey is PJVVPIMNVMBRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F5N2O2/c13-11(14,12(15,16)17)10(21)19-7-6-18-9(20)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,18,20)(H,19,21).
What are the key properties of N-[2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl]benzamide?
N-[2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl]benzamide has a molecular weight of 310.22 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl]benzamide is sourced from PubChem (CID 151467935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).