[2-(2-carbamoylanilino)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate

C16H11ClF2N2O4 — CID 7809950

IUPAC[2-(2-carbamoylanilino)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate
SMILESNC(=O)c1ccccc1NC(=O)COC(=O)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C16H11ClF2N2O4/c17-10-6-12(19)11(18)5-9(10)16(24)25-7-14(22)21-13-4-2-1-3-8(13)15(20)23/h1-6H,7H2,(H2,20,23)(H,21,22)
InChIKeyGNBZKHXWHSEAGR-UHFFFAOYSA-N
MW368.72 g/mol
LogP2.51
Rot. Bonds5

About [2-(2-carbamoylanilino)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate

[2-(2-carbamoylanilino)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate (PubChem CID 7809950) has the molecular formula C16H11ClF2N2O4 and a molecular weight of 368.72 g/mol. Its IUPAC name is [2-(2-carbamoylanilino)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate.

Molecular Properties

Compound Name[2-(2-carbamoylanilino)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate
PubChem CID7809950
Molecular FormulaC16H11ClF2N2O4
Molecular Weight368.72 g/mol
Exact Mass368.04
IUPAC Name[2-(2-carbamoylanilino)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate
SMILESNC(=O)c1ccccc1NC(=O)COC(=O)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C16H11ClF2N2O4/c17-10-6-12(19)11(18)5-9(10)16(24)25-7-14(22)21-13-4-2-1-3-8(13)15(20)23/h1-6H,7H2,(H2,20,23)(H,21,22)
InChIKeyGNBZKHXWHSEAGR-UHFFFAOYSA-N
XLogP2.51
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.72
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,4-dichloro-5-fluorobenzoate
CID 8649189
[2-(2-cyanoanilino)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate
CID 7382609
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate
CID 7809812
[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 2-chloro-4,5-difluorobenzoate
CID 29434502
[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-chloro-4,5-difluorobenzoate
CID 55397271
[2-(2-carbamoylanilino)-2-oxoethyl] 2-hydroxybenzoate
CID 7890744
[2-(2,4-dibromoanilino)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate
CID 2432324
[2-(2-chloroanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8619875
[2-(2-fluoroanilino)-2-oxoethyl] 5-bromo-2-chlorobenzoate
CID 7762622
[2-(2-carbamoylanilino)-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 7765030
[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-chloro-4,5-difluorobenzoate
CID 7382611
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8620033

Frequently Asked Questions

What is the IUPAC name of [2-(2-carbamoylanilino)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate?
The IUPAC name of [2-(2-carbamoylanilino)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate (CID 7809950) is [2-(2-carbamoylanilino)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate.
What is the SMILES notation for [2-(2-carbamoylanilino)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate?
The canonical SMILES for [2-(2-carbamoylanilino)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate is NC(=O)c1ccccc1NC(=O)COC(=O)c1cc(F)c(F)cc1Cl.
What is the InChIKey of [2-(2-carbamoylanilino)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate?
The InChIKey is GNBZKHXWHSEAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF2N2O4/c17-10-6-12(19)11(18)5-9(10)16(24)25-7-14(22)21-13-4-2-1-3-8(13)15(20)23/h1-6H,7H2,(H2,20,23)(H,21,22).
What are the key properties of [2-(2-carbamoylanilino)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate?
[2-(2-carbamoylanilino)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate has a molecular weight of 368.72 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-carbamoylanilino)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate is sourced from PubChem (CID 7809950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).