5-chloro-N-(4-chlorophenyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]benzamide

C23H20Cl2N4O2 — CID 18727805

IUPAC5-chloro-N-(4-chlorophenyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]benzamide
SMILES[H]/N=C(/c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)cc1)N(C)C
InChIInChI=1S/C23H20Cl2N4O2/c1-29(2)21(26)14-3-5-15(6-4-14)22(30)28-20-12-9-17(25)13-19(20)23(31)27-18-10-7-16(24)8-11-18/h3-13,26H,1-2H3,(H,27,31)(H,28,30)/b26-21-
InChIKeyATMGNIRMUVUISU-QLYXXIJNSA-N
MW455.35 g/mol
LogP5.38
Rot. Bonds5

About 5-chloro-N-(4-chlorophenyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]benzamide

5-chloro-N-(4-chlorophenyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]benzamide (PubChem CID 18727805) has the molecular formula C23H20Cl2N4O2 and a molecular weight of 455.35 g/mol. Its IUPAC name is 5-chloro-N-(4-chlorophenyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]benzamide.

Molecular Properties

Compound Name5-chloro-N-(4-chlorophenyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]benzamide
PubChem CID18727805
Molecular FormulaC23H20Cl2N4O2
Molecular Weight455.35 g/mol
Exact Mass454.10
IUPAC Name5-chloro-N-(4-chlorophenyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]benzamide
SMILES[H]/N=C(/c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)cc1)N(C)C
InChIInChI=1S/C23H20Cl2N4O2/c1-29(2)21(26)14-3-5-15(6-4-14)22(30)28-20-12-9-17(25)13-19(20)23(31)27-18-10-7-16(24)8-11-18/h3-13,26H,1-2H3,(H,27,31)(H,28,30)/b26-21-
InChIKeyATMGNIRMUVUISU-QLYXXIJNSA-N
XLogP5.38
TPSA85.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.35
LogP ≤ 55.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-chlorophenyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]benzamide?
The IUPAC name of 5-chloro-N-(4-chlorophenyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]benzamide (CID 18727805) is 5-chloro-N-(4-chlorophenyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]benzamide.
What is the SMILES notation for 5-chloro-N-(4-chlorophenyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]benzamide?
The canonical SMILES for 5-chloro-N-(4-chlorophenyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]benzamide is [H]/N=C(/c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)cc1)N(C)C.
What is the InChIKey of 5-chloro-N-(4-chlorophenyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]benzamide?
The InChIKey is ATMGNIRMUVUISU-QLYXXIJNSA-N. The full InChI is InChI=1S/C23H20Cl2N4O2/c1-29(2)21(26)14-3-5-15(6-4-14)22(30)28-20-12-9-17(25)13-19(20)23(31)27-18-10-7-16(24)8-11-18/h3-13,26H,1-2H3,(H,27,31)(H,28,30)/b26-21-.
What are the key properties of 5-chloro-N-(4-chlorophenyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]benzamide?
5-chloro-N-(4-chlorophenyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]benzamide has a molecular weight of 455.35 g/mol, XLogP of 5.38, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-chlorophenyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]benzamide is sourced from PubChem (CID 18727805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).