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

C22H16Cl3N3O2 — CID 6266458

IUPAC2,4-dichloro-N-[4-[(Z)-N-[(3-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
SMILESC/C(=N/NC(=O)c1cccc(Cl)c1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C22H16Cl3N3O2/c1-13(27-28-21(29)15-3-2-4-16(23)11-15)14-5-8-18(9-6-14)26-22(30)19-10-7-17(24)12-20(19)25/h2-12H,1H3,(H,26,30)(H,28,29)/b27-13-
InChIKeyBJVWKJZVKSVDMW-WKIKZPBSSA-N
MW460.75 g/mol
LogP6.05
Rot. Bonds5

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

2,4-dichloro-N-[4-[(Z)-N-[(3-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide (PubChem CID 6266458) has the molecular formula C22H16Cl3N3O2 and a molecular weight of 460.75 g/mol. Its IUPAC name is 2,4-dichloro-N-[4-[(Z)-N-[(3-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[4-[(Z)-N-[(3-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
PubChem CID6266458
Molecular FormulaC22H16Cl3N3O2
Molecular Weight460.75 g/mol
Exact Mass459.03
IUPAC Name2,4-dichloro-N-[4-[(Z)-N-[(3-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
SMILESC/C(=N/NC(=O)c1cccc(Cl)c1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C22H16Cl3N3O2/c1-13(27-28-21(29)15-3-2-4-16(23)11-15)14-5-8-18(9-6-14)26-22(30)19-10-7-17(24)12-20(19)25/h2-12H,1H3,(H,26,30)(H,28,29)/b27-13-
InChIKeyBJVWKJZVKSVDMW-WKIKZPBSSA-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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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[4-[(Z)-N-[(3-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[4-[(Z)-N-[(3-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide (CID 6266458) is 2,4-dichloro-N-[4-[(Z)-N-[(3-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[4-[(Z)-N-[(3-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[4-[(Z)-N-[(3-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide is C/C(=N/NC(=O)c1cccc(Cl)c1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2,4-dichloro-N-[4-[(Z)-N-[(3-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide?
The InChIKey is BJVWKJZVKSVDMW-WKIKZPBSSA-N. The full InChI is InChI=1S/C22H16Cl3N3O2/c1-13(27-28-21(29)15-3-2-4-16(23)11-15)14-5-8-18(9-6-14)26-22(30)19-10-7-17(24)12-20(19)25/h2-12H,1H3,(H,26,30)(H,28,29)/b27-13-.
What are the key properties of 2,4-dichloro-N-[4-[(Z)-N-[(3-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide?
2,4-dichloro-N-[4-[(Z)-N-[(3-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-[4-[(Z)-N-[(3-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide is sourced from PubChem (CID 6266458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).