[(3,4-dichlorobenzoyl)amino] 2-chloro-6-fluorobenzoate

C14H7Cl3FNO3 — CID 2804334

IUPAC[(3,4-dichlorobenzoyl)amino] 2-chloro-6-fluorobenzoate
SMILESO=C(NOC(=O)c1c(F)cccc1Cl)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H7Cl3FNO3/c15-8-5-4-7(6-10(8)17)13(20)19-22-14(21)12-9(16)2-1-3-11(12)18/h1-6H,(H,19,20)
InChIKeyQJEPBPOSGCYKCI-UHFFFAOYSA-N
MW362.57 g/mol
LogP4.29
Rot. Bonds2

About [(3,4-dichlorobenzoyl)amino] 2-chloro-6-fluorobenzoate

[(3,4-dichlorobenzoyl)amino] 2-chloro-6-fluorobenzoate (PubChem CID 2804334) has the molecular formula C14H7Cl3FNO3 and a molecular weight of 362.57 g/mol. Its IUPAC name is [(3,4-dichlorobenzoyl)amino] 2-chloro-6-fluorobenzoate.

Molecular Properties

Compound Name[(3,4-dichlorobenzoyl)amino] 2-chloro-6-fluorobenzoate
PubChem CID2804334
Molecular FormulaC14H7Cl3FNO3
Molecular Weight362.57 g/mol
Exact Mass360.95
IUPAC Name[(3,4-dichlorobenzoyl)amino] 2-chloro-6-fluorobenzoate
SMILESO=C(NOC(=O)c1c(F)cccc1Cl)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H7Cl3FNO3/c15-8-5-4-7(6-10(8)17)13(20)19-22-14(21)12-9(16)2-1-3-11(12)18/h1-6H,(H,19,20)
InChIKeyQJEPBPOSGCYKCI-UHFFFAOYSA-N
XLogP4.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.57
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 4990600
CID 4990600
CID 11460648
CID 11460648
CID 2804336
CID 2804336
CID 9575566
CID 9575566
CID 164609479
CID 164609479
CID 9587436
CID 9587436
CID 9587466
CID 9587466
CID 117926919
CID 117926919
CID 174579785
CID 174579785
CID 2804317
CID 2804317
CID 129777221
CID 129777221
CID 2936029
CID 2936029

Frequently Asked Questions

What is the IUPAC name of [(3,4-dichlorobenzoyl)amino] 2-chloro-6-fluorobenzoate?
The IUPAC name of [(3,4-dichlorobenzoyl)amino] 2-chloro-6-fluorobenzoate (CID 2804334) is [(3,4-dichlorobenzoyl)amino] 2-chloro-6-fluorobenzoate.
What is the SMILES notation for [(3,4-dichlorobenzoyl)amino] 2-chloro-6-fluorobenzoate?
The canonical SMILES for [(3,4-dichlorobenzoyl)amino] 2-chloro-6-fluorobenzoate is O=C(NOC(=O)c1c(F)cccc1Cl)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of [(3,4-dichlorobenzoyl)amino] 2-chloro-6-fluorobenzoate?
The InChIKey is QJEPBPOSGCYKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl3FNO3/c15-8-5-4-7(6-10(8)17)13(20)19-22-14(21)12-9(16)2-1-3-11(12)18/h1-6H,(H,19,20).
What are the key properties of [(3,4-dichlorobenzoyl)amino] 2-chloro-6-fluorobenzoate?
[(3,4-dichlorobenzoyl)amino] 2-chloro-6-fluorobenzoate has a molecular weight of 362.57 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3,4-dichlorobenzoyl)amino] 2-chloro-6-fluorobenzoate is sourced from PubChem (CID 2804334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).