2,4-dichloro-N-[3-[N-[(2-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide

C22H16Cl3N3O2 — CID 5078107

IUPAC2,4-dichloro-N-[3-[N-[(2-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
SMILESCC(=NNC(=O)c1ccccc1Cl)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C22H16Cl3N3O2/c1-13(27-28-22(30)17-7-2-3-8-19(17)24)14-5-4-6-16(11-14)26-21(29)18-10-9-15(23)12-20(18)25/h2-12H,1H3,(H,26,29)(H,28,30)
InChIKeyJUKMVTRGRXUQKE-UHFFFAOYSA-N
MW460.75 g/mol
LogP6.05
Rot. Bonds5

About 2,4-dichloro-N-[3-[N-[(2-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide

2,4-dichloro-N-[3-[N-[(2-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide (PubChem CID 5078107) has the molecular formula C22H16Cl3N3O2 and a molecular weight of 460.75 g/mol. Its IUPAC name is 2,4-dichloro-N-[3-[N-[(2-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[3-[N-[(2-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
PubChem CID5078107
Molecular FormulaC22H16Cl3N3O2
Molecular Weight460.75 g/mol
Exact Mass459.03
IUPAC Name2,4-dichloro-N-[3-[N-[(2-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
SMILESCC(=NNC(=O)c1ccccc1Cl)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C22H16Cl3N3O2/c1-13(27-28-22(30)17-7-2-3-8-19(17)24)14-5-4-6-16(11-14)26-21(29)18-10-9-15(23)12-20(18)25/h2-12H,1H3,(H,26,29)(H,28,30)
InChIKeyJUKMVTRGRXUQKE-UHFFFAOYSA-N
XLogP6.05
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.75
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-[3-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]naphthalene-1-carboxamide
CID 6117391
2,4-dichloro-N-[1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide
CID 3699366
2,4-dichloro-N-[3-[(Z)-N-[(3-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 6266105
2,4-dichloro-N-[3-[(Z)-N-[(2-hydroxy-2,2-diphenylacetyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 6261065
2,4-dichloro-N-[3-[C-methyl-N-[(3-nitrobenzoyl)amino]carbonimidoyl]phenyl]benzamide
CID 3591047
2,4-dichloro-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]benzamide
CID 6167444
2,4-dichloro-N-[4-[(Z)-N-[(3-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 6266458
N-[(Z)-1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-2-fluorobenzamide
CID 6146725
2,4-dichloro-N-[4-[N-[(2-methoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 4288814
N-[1-[3-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]-3-methyl-4-nitrobenzamide
CID 5227167
N-[(Z)-1-[3-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]-3-methyl-4-nitrobenzamide
CID 6307189
2,4-dichloro-N-[1-(4-chlorophenyl)ethylideneamino]benzamide
CID 904479

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[3-[N-[(2-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[3-[N-[(2-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide (CID 5078107) is 2,4-dichloro-N-[3-[N-[(2-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[3-[N-[(2-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[3-[N-[(2-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide is CC(=NNC(=O)c1ccccc1Cl)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 2,4-dichloro-N-[3-[N-[(2-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide?
The InChIKey is JUKMVTRGRXUQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl3N3O2/c1-13(27-28-22(30)17-7-2-3-8-19(17)24)14-5-4-6-16(11-14)26-21(29)18-10-9-15(23)12-20(18)25/h2-12H,1H3,(H,26,29)(H,28,30).
What are the key properties of 2,4-dichloro-N-[3-[N-[(2-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide?
2,4-dichloro-N-[3-[N-[(2-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide has a molecular weight of 460.75 g/mol, XLogP of 6.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[3-[N-[(2-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide is sourced from PubChem (CID 5078107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).