4-chloro-N-[4-(4-chlorobenzoyl)iminocyclohexa-2,5-dien-1-ylidene]benzamide

C20H12Cl2N2O2 — CID 5208907

IUPAC4-chloro-N-[4-(4-chlorobenzoyl)iminocyclohexa-2,5-dien-1-ylidene]benzamide
SMILESO=C(N=C1C=CC(=NC(=O)c2ccc(Cl)cc2)C=C1)c1ccc(Cl)cc1
InChIInChI=1S/C20H12Cl2N2O2/c21-15-5-1-13(2-6-15)19(25)23-17-9-11-18(12-10-17)24-20(26)14-3-7-16(22)8-4-14/h1-12H/b23-17-,24-18+
InChIKeyMCZPQBXACFDYQQ-QFFDILLMSA-N
MW383.23 g/mol
LogP4.98
Rot. Bonds2

About 4-chloro-N-[4-(4-chlorobenzoyl)iminocyclohexa-2,5-dien-1-ylidene]benzamide

4-chloro-N-[4-(4-chlorobenzoyl)iminocyclohexa-2,5-dien-1-ylidene]benzamide (PubChem CID 5208907) has the molecular formula C20H12Cl2N2O2 and a molecular weight of 383.23 g/mol. Its IUPAC name is 4-chloro-N-[4-(4-chlorobenzoyl)iminocyclohexa-2,5-dien-1-ylidene]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-(4-chlorobenzoyl)iminocyclohexa-2,5-dien-1-ylidene]benzamide
PubChem CID5208907
Molecular FormulaC20H12Cl2N2O2
Molecular Weight383.23 g/mol
Exact Mass382.03
IUPAC Name4-chloro-N-[4-(4-chlorobenzoyl)iminocyclohexa-2,5-dien-1-ylidene]benzamide
SMILESO=C(N=C1C=CC(=NC(=O)c2ccc(Cl)cc2)C=C1)c1ccc(Cl)cc1
InChIInChI=1S/C20H12Cl2N2O2/c21-15-5-1-13(2-6-15)19(25)23-17-9-11-18(12-10-17)24-20(26)14-3-7-16(22)8-4-14/h1-12H/b23-17-,24-18+
InChIKeyMCZPQBXACFDYQQ-QFFDILLMSA-N
XLogP4.98
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.23
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-chloro(13C)benzoic acid
CID 66995527
4-chloro-N-(3-methyl-1,3-thiazolidin-2-ylidene)benzamide
CID 10587097
4-chloro(13C)benzamide
CID 175798194
4-chlorobenzamide
CID 12084
4-chloro-N-[3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzamide
CID 1382324
cesium;4-chlorobenzoic acid;fluoride
CID 175696882
(4-chlorobenzoyl) 4-chlorobenzenecarboperoxoate
CID 7179
4-(4-chlorophenyl)benzoyl iodide
CID 90184448
4-chlorobenzoic acid;molecular hydrogen
CID 175545154
N-(4-chlorobenzoyl)pyrrolidine-1-carboximidoyl chloride
CID 12618866
(2Z)-1-(4-chlorophenyl)-2-hydroxyiminoethanone
CID 6399483
[[4-(4-chlorobenzoyl)oxyiminocyclohexa-2,5-dien-1-ylidene]amino] 2-chlorobenzoate
CID 5120586

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(4-chlorobenzoyl)iminocyclohexa-2,5-dien-1-ylidene]benzamide?
The IUPAC name of 4-chloro-N-[4-(4-chlorobenzoyl)iminocyclohexa-2,5-dien-1-ylidene]benzamide (CID 5208907) is 4-chloro-N-[4-(4-chlorobenzoyl)iminocyclohexa-2,5-dien-1-ylidene]benzamide.
What is the SMILES notation for 4-chloro-N-[4-(4-chlorobenzoyl)iminocyclohexa-2,5-dien-1-ylidene]benzamide?
The canonical SMILES for 4-chloro-N-[4-(4-chlorobenzoyl)iminocyclohexa-2,5-dien-1-ylidene]benzamide is O=C(N=C1C=CC(=NC(=O)c2ccc(Cl)cc2)C=C1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-(4-chlorobenzoyl)iminocyclohexa-2,5-dien-1-ylidene]benzamide?
The InChIKey is MCZPQBXACFDYQQ-QFFDILLMSA-N. The full InChI is InChI=1S/C20H12Cl2N2O2/c21-15-5-1-13(2-6-15)19(25)23-17-9-11-18(12-10-17)24-20(26)14-3-7-16(22)8-4-14/h1-12H/b23-17-,24-18+.
What are the key properties of 4-chloro-N-[4-(4-chlorobenzoyl)iminocyclohexa-2,5-dien-1-ylidene]benzamide?
4-chloro-N-[4-(4-chlorobenzoyl)iminocyclohexa-2,5-dien-1-ylidene]benzamide has a molecular weight of 383.23 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(4-chlorobenzoyl)iminocyclohexa-2,5-dien-1-ylidene]benzamide is sourced from PubChem (CID 5208907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).