2-chloro-N-[5-[(2-chlorobenzoyl)amino]-9,10-dihydroxyanthracen-1-yl]benzamide

C28H18Cl2N2O4 — CID 100999874

IUPAC2-chloro-N-[5-[(2-chlorobenzoyl)amino]-9,10-dihydroxyanthracen-1-yl]benzamide
SMILESO=C(Nc1cccc2c(O)c3c(NC(=O)c4ccccc4Cl)cccc3c(O)c12)c1ccccc1Cl
InChIInChI=1S/C28H18Cl2N2O4/c29-19-11-3-1-7-15(19)27(35)31-21-13-5-9-17-23(21)25(33)18-10-6-14-22(24(18)26(17)34)32-28(36)16-8-2-4-12-20(16)30/h1-14,33-34H,(H,31,35)(H,32,36)
InChIKeyPDEGUFZNSOLTEO-UHFFFAOYSA-N
MW517.37 g/mol
LogP7.22
Rot. Bonds4

About 2-chloro-N-[5-[(2-chlorobenzoyl)amino]-9,10-dihydroxyanthracen-1-yl]benzamide

2-chloro-N-[5-[(2-chlorobenzoyl)amino]-9,10-dihydroxyanthracen-1-yl]benzamide (PubChem CID 100999874) has the molecular formula C28H18Cl2N2O4 and a molecular weight of 517.37 g/mol. Its IUPAC name is 2-chloro-N-[5-[(2-chlorobenzoyl)amino]-9,10-dihydroxyanthracen-1-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[5-[(2-chlorobenzoyl)amino]-9,10-dihydroxyanthracen-1-yl]benzamide
PubChem CID100999874
Molecular FormulaC28H18Cl2N2O4
Molecular Weight517.37 g/mol
Exact Mass516.06
IUPAC Name2-chloro-N-[5-[(2-chlorobenzoyl)amino]-9,10-dihydroxyanthracen-1-yl]benzamide
SMILESO=C(Nc1cccc2c(O)c3c(NC(=O)c4ccccc4Cl)cccc3c(O)c12)c1ccccc1Cl
InChIInChI=1S/C28H18Cl2N2O4/c29-19-11-3-1-7-15(19)27(35)31-21-13-5-9-17-23(21)25(33)18-10-6-14-22(24(18)26(17)34)32-28(36)16-8-2-4-12-20(16)30/h1-14,33-34H,(H,31,35)(H,32,36)
InChIKeyPDEGUFZNSOLTEO-UHFFFAOYSA-N
XLogP7.22
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.37
LogP ≤ 57.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-(9,10-dihydroxyanthracen-1-yl)benzamide
CID 86176763
N-(2-aminophenyl)-2-chlorobenzamide
CID 684680
5-chloro-N-(2-methylphenyl)naphthalene-1-carboxamide
CID 17101827
N-(2,3-dichlorophenyl)-2-iodobenzamide
CID 1043515
N-(2-anilinophenyl)-2-chlorobenzamide
CID 86018002
2-chloro-N-(1H-indol-3-yl)benzamide
CID 56763159
methyl 2-[(5-chloronaphthalene-1-carbonyl)amino]benzoate
CID 17102102
N-(2-chlorophenyl)-2-iodobenzamide
CID 1105942
N-(2-chlorophenyl)-2-hydrazinylbenzamide
CID 62248319
2-chloro-N-(2-chloro-3-pyridinyl)benzamide
CID 4245221
2-chloro-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24689515
2,3-diamino-N-(2-chlorophenyl)benzamide
CID 175375974

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-[(2-chlorobenzoyl)amino]-9,10-dihydroxyanthracen-1-yl]benzamide?
The IUPAC name of 2-chloro-N-[5-[(2-chlorobenzoyl)amino]-9,10-dihydroxyanthracen-1-yl]benzamide (CID 100999874) is 2-chloro-N-[5-[(2-chlorobenzoyl)amino]-9,10-dihydroxyanthracen-1-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[5-[(2-chlorobenzoyl)amino]-9,10-dihydroxyanthracen-1-yl]benzamide?
The canonical SMILES for 2-chloro-N-[5-[(2-chlorobenzoyl)amino]-9,10-dihydroxyanthracen-1-yl]benzamide is O=C(Nc1cccc2c(O)c3c(NC(=O)c4ccccc4Cl)cccc3c(O)c12)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[5-[(2-chlorobenzoyl)amino]-9,10-dihydroxyanthracen-1-yl]benzamide?
The InChIKey is PDEGUFZNSOLTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18Cl2N2O4/c29-19-11-3-1-7-15(19)27(35)31-21-13-5-9-17-23(21)25(33)18-10-6-14-22(24(18)26(17)34)32-28(36)16-8-2-4-12-20(16)30/h1-14,33-34H,(H,31,35)(H,32,36).
What are the key properties of 2-chloro-N-[5-[(2-chlorobenzoyl)amino]-9,10-dihydroxyanthracen-1-yl]benzamide?
2-chloro-N-[5-[(2-chlorobenzoyl)amino]-9,10-dihydroxyanthracen-1-yl]benzamide has a molecular weight of 517.37 g/mol, XLogP of 7.22, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-[(2-chlorobenzoyl)amino]-9,10-dihydroxyanthracen-1-yl]benzamide is sourced from PubChem (CID 100999874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).