4-chloro-N-[(2-oxoacenaphthylen-1-ylidene)amino]benzamide

C19H11ClN2O2 — CID 2487130

IUPAC4-chloro-N-[(2-oxoacenaphthylen-1-ylidene)amino]benzamide
SMILESO=C(NN=C1C(=O)c2cccc3cccc1c23)c1ccc(Cl)cc1
InChIInChI=1S/C19H11ClN2O2/c20-13-9-7-12(8-10-13)19(24)22-21-17-14-5-1-3-11-4-2-6-15(16(11)14)18(17)23/h1-10H,(H,22,24)
InChIKeyNFLMKMJDUCVJOE-UHFFFAOYSA-N
MW334.76 g/mol
LogP3.82
Rot. Bonds2

About 4-chloro-N-[(2-oxoacenaphthylen-1-ylidene)amino]benzamide

4-chloro-N-[(2-oxoacenaphthylen-1-ylidene)amino]benzamide (PubChem CID 2487130) has the molecular formula C19H11ClN2O2 and a molecular weight of 334.76 g/mol. Its IUPAC name is 4-chloro-N-[(2-oxoacenaphthylen-1-ylidene)amino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(2-oxoacenaphthylen-1-ylidene)amino]benzamide
PubChem CID2487130
Molecular FormulaC19H11ClN2O2
Molecular Weight334.76 g/mol
Exact Mass334.05
IUPAC Name4-chloro-N-[(2-oxoacenaphthylen-1-ylidene)amino]benzamide
SMILESO=C(NN=C1C(=O)c2cccc3cccc1c23)c1ccc(Cl)cc1
InChIInChI=1S/C19H11ClN2O2/c20-13-9-7-12(8-10-13)19(24)22-21-17-14-5-1-3-11-4-2-6-15(16(11)14)18(17)23/h1-10H,(H,22,24)
InChIKeyNFLMKMJDUCVJOE-UHFFFAOYSA-N
XLogP3.82
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'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 4-chloro-N-[(2-oxoacenaphthylen-1-ylidene)amino]benzamide?
The IUPAC name of 4-chloro-N-[(2-oxoacenaphthylen-1-ylidene)amino]benzamide (CID 2487130) is 4-chloro-N-[(2-oxoacenaphthylen-1-ylidene)amino]benzamide.
What is the SMILES notation for 4-chloro-N-[(2-oxoacenaphthylen-1-ylidene)amino]benzamide?
The canonical SMILES for 4-chloro-N-[(2-oxoacenaphthylen-1-ylidene)amino]benzamide is O=C(NN=C1C(=O)c2cccc3cccc1c23)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(2-oxoacenaphthylen-1-ylidene)amino]benzamide?
The InChIKey is NFLMKMJDUCVJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClN2O2/c20-13-9-7-12(8-10-13)19(24)22-21-17-14-5-1-3-11-4-2-6-15(16(11)14)18(17)23/h1-10H,(H,22,24).
What are the key properties of 4-chloro-N-[(2-oxoacenaphthylen-1-ylidene)amino]benzamide?
4-chloro-N-[(2-oxoacenaphthylen-1-ylidene)amino]benzamide has a molecular weight of 334.76 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2-oxoacenaphthylen-1-ylidene)amino]benzamide is sourced from PubChem (CID 2487130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).