carbamoyl 2,4-difluorobenzoate

C8H5F2NO3 — CID 21202786

IUPACcarbamoyl 2,4-difluorobenzoate
SMILESNC(=O)OC(=O)c1ccc(F)cc1F
InChIInChI=1S/C8H5F2NO3/c9-4-1-2-5(6(10)3-4)7(12)14-8(11)13/h1-3H,(H2,11,13)
InChIKeyRYERYPKQGCUPOF-UHFFFAOYSA-N
MW201.13 g/mol
LogP1.20
Rot. Bonds1

About carbamoyl 2,4-difluorobenzoate

carbamoyl 2,4-difluorobenzoate (PubChem CID 21202786) has the molecular formula C8H5F2NO3 and a molecular weight of 201.13 g/mol. Its IUPAC name is carbamoyl 2,4-difluorobenzoate.

Molecular Properties

Compound Namecarbamoyl 2,4-difluorobenzoate
PubChem CID21202786
Molecular FormulaC8H5F2NO3
Molecular Weight201.13 g/mol
Exact Mass201.02
IUPAC Namecarbamoyl 2,4-difluorobenzoate
SMILESNC(=O)OC(=O)c1ccc(F)cc1F
InChIInChI=1S/C8H5F2NO3/c9-4-1-2-5(6(10)3-4)7(12)14-8(11)13/h1-3H,(H2,11,13)
InChIKeyRYERYPKQGCUPOF-UHFFFAOYSA-N
XLogP1.20
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.13
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

carbamoyl 4-amino-2-fluorobenzoate
CID 88539668
2,2,2-trifluoroethyl 2,4-difluorobenzoate
CID 22149746
2,4-difluorobenzamide;dihydrochloride
CID 22032026
2-methoxyethyl 2,4-difluorobenzoate
CID 78830751
2,4-difluorobenzenecarbothioamide
CID 2781868
2,4-difluorobenzoyl bromide
CID 87349807
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2,4-difluorobenzoate
CID 2638001
icosyl 2,4-difluorobenzoate
CID 91723271
carbamoyl 2-amino-5-(4-fluorophenyl)thiophene-3-carboxylate
CID 90820267
(2,5-dioxopyrrolidin-1-yl) 2,4-difluorobenzoate
CID 98464286
carbamoyl 2,6-difluorobenzoate
CID 175511176
ethyl 2-(2,4-difluorophenyl)-2-oxoacetate
CID 24722254

Frequently Asked Questions

What is the IUPAC name of carbamoyl 2,4-difluorobenzoate?
The IUPAC name of carbamoyl 2,4-difluorobenzoate (CID 21202786) is carbamoyl 2,4-difluorobenzoate.
What is the SMILES notation for carbamoyl 2,4-difluorobenzoate?
The canonical SMILES for carbamoyl 2,4-difluorobenzoate is NC(=O)OC(=O)c1ccc(F)cc1F.
What is the InChIKey of carbamoyl 2,4-difluorobenzoate?
The InChIKey is RYERYPKQGCUPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2NO3/c9-4-1-2-5(6(10)3-4)7(12)14-8(11)13/h1-3H,(H2,11,13).
What are the key properties of carbamoyl 2,4-difluorobenzoate?
carbamoyl 2,4-difluorobenzoate has a molecular weight of 201.13 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoyl 2,4-difluorobenzoate is sourced from PubChem (CID 21202786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).