3-[(2-chloro-6-fluorobenzoyl)amino]benzoyl chloride

C14H8Cl2FNO2 — CID 23150024

IUPAC3-[(2-chloro-6-fluorobenzoyl)amino]benzoyl chloride
SMILESO=C(Cl)c1cccc(NC(=O)c2c(F)cccc2Cl)c1
InChIInChI=1S/C14H8Cl2FNO2/c15-10-5-2-6-11(17)12(10)14(20)18-9-4-1-3-8(7-9)13(16)19/h1-7H,(H,18,20)
InChIKeyJKGHYMFBVMISHD-UHFFFAOYSA-N
MW312.13 g/mol
LogP4.11
Rot. Bonds3

About 3-[(2-chloro-6-fluorobenzoyl)amino]benzoyl chloride

3-[(2-chloro-6-fluorobenzoyl)amino]benzoyl chloride (PubChem CID 23150024) has the molecular formula C14H8Cl2FNO2 and a molecular weight of 312.13 g/mol. Its IUPAC name is 3-[(2-chloro-6-fluorobenzoyl)amino]benzoyl chloride.

Molecular Properties

Compound Name3-[(2-chloro-6-fluorobenzoyl)amino]benzoyl chloride
PubChem CID23150024
Molecular FormulaC14H8Cl2FNO2
Molecular Weight312.13 g/mol
Exact Mass310.99
IUPAC Name3-[(2-chloro-6-fluorobenzoyl)amino]benzoyl chloride
SMILESO=C(Cl)c1cccc(NC(=O)c2c(F)cccc2Cl)c1
InChIInChI=1S/C14H8Cl2FNO2/c15-10-5-2-6-11(17)12(10)14(20)18-9-4-1-3-8(7-9)13(16)19/h1-7H,(H,18,20)
InChIKeyJKGHYMFBVMISHD-UHFFFAOYSA-N
XLogP4.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.13
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(3,4-dichlorophenyl)-6-fluorobenzamide
CID 26085744
N-[3-(bromomethyl)phenyl]-2-chloro-6-fluorobenzamide
CID 114307297
2-chloro-6-fluoro-N-pyridin-4-ylbenzamide
CID 25236808
N-[2-(3-acetylanilino)-2-oxoethyl]-2-chloro-6-fluorobenzamide
CID 112999524
3-[(2,4-dichlorobenzoyl)amino]benzoyl chloride
CID 87323399
2-chloro-6-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64793467
2,6-dichloro-N-(3,4-difluorophenyl)benzamide
CID 4128288
2-chloro-6-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17165094
N-(3-carbamothioylphenyl)-2,6-dichlorobenzamide
CID 29040184
methyl 4-[4-[(2-chloro-6-fluorobenzoyl)amino]anilino]benzoate
CID 112988576
N-(1,3-benzoxazol-6-yl)-2-chloro-6-fluorobenzamide
CID 110728878
N-[4-(aminomethyl)phenyl]-2-chloro-6-fluorobenzamide
CID 28754405

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-fluorobenzoyl)amino]benzoyl chloride?
The IUPAC name of 3-[(2-chloro-6-fluorobenzoyl)amino]benzoyl chloride (CID 23150024) is 3-[(2-chloro-6-fluorobenzoyl)amino]benzoyl chloride.
What is the SMILES notation for 3-[(2-chloro-6-fluorobenzoyl)amino]benzoyl chloride?
The canonical SMILES for 3-[(2-chloro-6-fluorobenzoyl)amino]benzoyl chloride is O=C(Cl)c1cccc(NC(=O)c2c(F)cccc2Cl)c1.
What is the InChIKey of 3-[(2-chloro-6-fluorobenzoyl)amino]benzoyl chloride?
The InChIKey is JKGHYMFBVMISHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2FNO2/c15-10-5-2-6-11(17)12(10)14(20)18-9-4-1-3-8(7-9)13(16)19/h1-7H,(H,18,20).
What are the key properties of 3-[(2-chloro-6-fluorobenzoyl)amino]benzoyl chloride?
3-[(2-chloro-6-fluorobenzoyl)amino]benzoyl chloride has a molecular weight of 312.13 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-fluorobenzoyl)amino]benzoyl chloride is sourced from PubChem (CID 23150024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).