3-[(2,4-dichlorobenzoyl)amino]benzoyl chloride

C14H8Cl3NO2 — CID 87323399

IUPAC3-[(2,4-dichlorobenzoyl)amino]benzoyl chloride
SMILESO=C(Cl)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C14H8Cl3NO2/c15-9-4-5-11(12(16)7-9)14(20)18-10-3-1-2-8(6-10)13(17)19/h1-7H,(H,18,20)
InChIKeyYISMFIYSIDLCTN-UHFFFAOYSA-N
MW328.58 g/mol
LogP4.62
Rot. Bonds3

About 3-[(2,4-dichlorobenzoyl)amino]benzoyl chloride

3-[(2,4-dichlorobenzoyl)amino]benzoyl chloride (PubChem CID 87323399) has the molecular formula C14H8Cl3NO2 and a molecular weight of 328.58 g/mol. Its IUPAC name is 3-[(2,4-dichlorobenzoyl)amino]benzoyl chloride.

Molecular Properties

Compound Name3-[(2,4-dichlorobenzoyl)amino]benzoyl chloride
PubChem CID87323399
Molecular FormulaC14H8Cl3NO2
Molecular Weight328.58 g/mol
Exact Mass326.96
IUPAC Name3-[(2,4-dichlorobenzoyl)amino]benzoyl chloride
SMILESO=C(Cl)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C14H8Cl3NO2/c15-9-4-5-11(12(16)7-9)14(20)18-10-3-1-2-8(6-10)13(17)19/h1-7H,(H,18,20)
InChIKeyYISMFIYSIDLCTN-UHFFFAOYSA-N
XLogP4.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.58
LogP ≤ 54.62
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

2,4-dichloro-N-[3-[2-(dimethylamino)acetyl]phenyl]benzamide
CID 170896449
ethyl 3-[(2,4-dichlorobenzoyl)amino]benzoate
CID 769408
2,4-dichloro-N-[3-[N-[(2-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 5078107
N-[3-[(2,4-dichlorobenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 2280085
2,4-dichloro-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide
CID 1048560
2,4-dichloro-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154669
3-[(2-chloro-6-fluorobenzoyl)amino]benzoyl chloride
CID 23150024
2,4-dichloro-N-[3-[(2,2-diphenylacetyl)amino]phenyl]benzamide
CID 3385314
2,4-dichloro-N-[3-[(Z)-N-[(3-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 6266105
N-[(Z)-1-[3-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]naphthalene-1-carboxamide
CID 6117391
2,4-dichloro-N-[3-[[3-oxo-2-(2,4,6-trichlorophenyl)-1H-pyrazol-5-yl]carbamoyl]phenyl]benzamide
CID 3118521
methyl 3-[(4-amino-2-chlorobenzoyl)amino]benzoate
CID 28748885

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dichlorobenzoyl)amino]benzoyl chloride?
The IUPAC name of 3-[(2,4-dichlorobenzoyl)amino]benzoyl chloride (CID 87323399) is 3-[(2,4-dichlorobenzoyl)amino]benzoyl chloride.
What is the SMILES notation for 3-[(2,4-dichlorobenzoyl)amino]benzoyl chloride?
The canonical SMILES for 3-[(2,4-dichlorobenzoyl)amino]benzoyl chloride is O=C(Cl)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 3-[(2,4-dichlorobenzoyl)amino]benzoyl chloride?
The InChIKey is YISMFIYSIDLCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl3NO2/c15-9-4-5-11(12(16)7-9)14(20)18-10-3-1-2-8(6-10)13(17)19/h1-7H,(H,18,20).
What are the key properties of 3-[(2,4-dichlorobenzoyl)amino]benzoyl chloride?
3-[(2,4-dichlorobenzoyl)amino]benzoyl chloride has a molecular weight of 328.58 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dichlorobenzoyl)amino]benzoyl chloride is sourced from PubChem (CID 87323399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).