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

C20H12Cl2N2O2 — CID 5254446

IUPAC2-chloro-N-[4-(2-chlorobenzoyl)iminocyclohexa-2,5-dien-1-ylidene]benzamide
SMILESO=C(N=C1C=CC(=NC(=O)c2ccccc2Cl)C=C1)c1ccccc1Cl
InChIInChI=1S/C20H12Cl2N2O2/c21-17-7-3-1-5-15(17)19(25)23-13-9-11-14(12-10-13)24-20(26)16-6-2-4-8-18(16)22/h1-12H/b23-13-,24-14+
InChIKeyOYLMEPAPFUDTSU-NQGGHMMCSA-N
MW383.23 g/mol
LogP4.98
Rot. Bonds2

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

2-chloro-N-[4-(2-chlorobenzoyl)iminocyclohexa-2,5-dien-1-ylidene]benzamide (PubChem CID 5254446) has the molecular formula C20H12Cl2N2O2 and a molecular weight of 383.23 g/mol. Its IUPAC name is 2-chloro-N-[4-(2-chlorobenzoyl)iminocyclohexa-2,5-dien-1-ylidene]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-(2-chlorobenzoyl)iminocyclohexa-2,5-dien-1-ylidene]benzamide
PubChem CID5254446
Molecular FormulaC20H12Cl2N2O2
Molecular Weight383.23 g/mol
Exact Mass382.03
IUPAC Name2-chloro-N-[4-(2-chlorobenzoyl)iminocyclohexa-2,5-dien-1-ylidene]benzamide
SMILESO=C(N=C1C=CC(=NC(=O)c2ccccc2Cl)C=C1)c1ccccc1Cl
InChIInChI=1S/C20H12Cl2N2O2/c21-17-7-3-1-5-15(17)19(25)23-13-9-11-14(12-10-13)24-20(26)16-6-2-4-8-18(16)22/h1-12H/b23-13-,24-14+
InChIKeyOYLMEPAPFUDTSU-NQGGHMMCSA-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-oxocyclohexa-2,5-dien-1-ylidene)amino] 2-chlorobenzoate
CID 885328
2-chloro-N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide
CID 137259538
1-(2-chlorophenyl)ethanone;hydrochloride
CID 174743581
3-(2-chlorophenyl)-3-oxopropanoyl chloride
CID 175437558
bis(N'-(2-chlorobenzoyl)-N,N-dimethylcarbamimidothioate);palladium(2+)
CID 11678747
[[4-(4-chlorobenzoyl)oxyiminocyclohexa-2,5-dien-1-ylidene]amino] 2-chlorobenzoate
CID 5120586
2-chloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4187487
1-(2-chlorophenyl)-2-phosphanylethanone
CID 144986578
2-chlorobenzoic acid;terbium(3+);trichloride;hydrate
CID 174885949
2-chloro-N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885103
bis(N-(2-chlorobenzoyl)pyrrolidine-1-carboximidothioate);palladium(2+)
CID 11707259
2-chloro-N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 2151031

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(2-chlorobenzoyl)iminocyclohexa-2,5-dien-1-ylidene]benzamide?
The IUPAC name of 2-chloro-N-[4-(2-chlorobenzoyl)iminocyclohexa-2,5-dien-1-ylidene]benzamide (CID 5254446) is 2-chloro-N-[4-(2-chlorobenzoyl)iminocyclohexa-2,5-dien-1-ylidene]benzamide.
What is the SMILES notation for 2-chloro-N-[4-(2-chlorobenzoyl)iminocyclohexa-2,5-dien-1-ylidene]benzamide?
The canonical SMILES for 2-chloro-N-[4-(2-chlorobenzoyl)iminocyclohexa-2,5-dien-1-ylidene]benzamide is O=C(N=C1C=CC(=NC(=O)c2ccccc2Cl)C=C1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[4-(2-chlorobenzoyl)iminocyclohexa-2,5-dien-1-ylidene]benzamide?
The InChIKey is OYLMEPAPFUDTSU-NQGGHMMCSA-N. The full InChI is InChI=1S/C20H12Cl2N2O2/c21-17-7-3-1-5-15(17)19(25)23-13-9-11-14(12-10-13)24-20(26)16-6-2-4-8-18(16)22/h1-12H/b23-13-,24-14+.
What are the key properties of 2-chloro-N-[4-(2-chlorobenzoyl)iminocyclohexa-2,5-dien-1-ylidene]benzamide?
2-chloro-N-[4-(2-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 2-chloro-N-[4-(2-chlorobenzoyl)iminocyclohexa-2,5-dien-1-ylidene]benzamide is sourced from PubChem (CID 5254446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).