N-(difluorocarbamoyl)-N,2,3-trifluorobenzamide

C8H3F5N2O2 — CID 87474949

IUPACN-(difluorocarbamoyl)-N,2,3-trifluorobenzamide
SMILESO=C(c1cccc(F)c1F)N(F)C(=O)N(F)F
InChIInChI=1S/C8H3F5N2O2/c9-5-3-1-2-4(6(5)10)7(16)14(11)8(17)15(12)13/h1-3H
InChIKeyQOVRLXZWYNZWJO-UHFFFAOYSA-N
MW254.11 g/mol
LogP2.48
Rot. Bonds1

About N-(difluorocarbamoyl)-N,2,3-trifluorobenzamide

N-(difluorocarbamoyl)-N,2,3-trifluorobenzamide (PubChem CID 87474949) has the molecular formula C8H3F5N2O2 and a molecular weight of 254.11 g/mol. Its IUPAC name is N-(difluorocarbamoyl)-N,2,3-trifluorobenzamide.

Molecular Properties

Compound NameN-(difluorocarbamoyl)-N,2,3-trifluorobenzamide
PubChem CID87474949
Molecular FormulaC8H3F5N2O2
Molecular Weight254.11 g/mol
Exact Mass254.01
IUPAC NameN-(difluorocarbamoyl)-N,2,3-trifluorobenzamide
SMILESO=C(c1cccc(F)c1F)N(F)C(=O)N(F)F
InChIInChI=1S/C8H3F5N2O2/c9-5-3-1-2-4(6(5)10)7(16)14(11)8(17)15(12)13/h1-3H
InChIKeyQOVRLXZWYNZWJO-UHFFFAOYSA-N
XLogP2.48
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.11
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(difluorocarbamoyl)-N,2,3-trifluorobenzamide?
The IUPAC name of N-(difluorocarbamoyl)-N,2,3-trifluorobenzamide (CID 87474949) is N-(difluorocarbamoyl)-N,2,3-trifluorobenzamide.
What is the SMILES notation for N-(difluorocarbamoyl)-N,2,3-trifluorobenzamide?
The canonical SMILES for N-(difluorocarbamoyl)-N,2,3-trifluorobenzamide is O=C(c1cccc(F)c1F)N(F)C(=O)N(F)F.
What is the InChIKey of N-(difluorocarbamoyl)-N,2,3-trifluorobenzamide?
The InChIKey is QOVRLXZWYNZWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F5N2O2/c9-5-3-1-2-4(6(5)10)7(16)14(11)8(17)15(12)13/h1-3H.
What are the key properties of N-(difluorocarbamoyl)-N,2,3-trifluorobenzamide?
N-(difluorocarbamoyl)-N,2,3-trifluorobenzamide has a molecular weight of 254.11 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(difluorocarbamoyl)-N,2,3-trifluorobenzamide is sourced from PubChem (CID 87474949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).