(2E)-2-[(3-chlorobenzoyl)hydrazinylidene]chromene-3-carboxamide

C17H12ClN3O3 — CID 6251232

IUPAC(2E)-2-[(3-chlorobenzoyl)hydrazinylidene]chromene-3-carboxamide
SMILESNC(=O)c1cc2ccccc2o/c1=N/NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H12ClN3O3/c18-12-6-3-5-11(8-12)16(23)20-21-17-13(15(19)22)9-10-4-1-2-7-14(10)24-17/h1-9H,(H2,19,22)(H,20,23)/b21-17+
InChIKeyOCVTZBWTLWSFBB-HEHNFIMWSA-N
MW341.75 g/mol
LogP2.43
Rot. Bonds3

About (2E)-2-[(3-chlorobenzoyl)hydrazinylidene]chromene-3-carboxamide

(2E)-2-[(3-chlorobenzoyl)hydrazinylidene]chromene-3-carboxamide (PubChem CID 6251232) has the molecular formula C17H12ClN3O3 and a molecular weight of 341.75 g/mol. Its IUPAC name is (2E)-2-[(3-chlorobenzoyl)hydrazinylidene]chromene-3-carboxamide.

Molecular Properties

Compound Name(2E)-2-[(3-chlorobenzoyl)hydrazinylidene]chromene-3-carboxamide
PubChem CID6251232
Molecular FormulaC17H12ClN3O3
Molecular Weight341.75 g/mol
Exact Mass341.06
IUPAC Name(2E)-2-[(3-chlorobenzoyl)hydrazinylidene]chromene-3-carboxamide
SMILESNC(=O)c1cc2ccccc2o/c1=N/NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H12ClN3O3/c18-12-6-3-5-11(8-12)16(23)20-21-17-13(15(19)22)9-10-4-1-2-7-14(10)24-17/h1-9H,(H2,19,22)(H,20,23)/b21-17+
InChIKeyOCVTZBWTLWSFBB-HEHNFIMWSA-N
XLogP2.43
TPSA97.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.75
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 790059
CID 790059
CID 5977173
CID 5977173
CID 6295008
CID 6295008
CID 6904308
CID 6904308
CID 9611182
CID 9611182
CID 9629545
CID 9629545
CID 2927543
CID 2927543
CID 5977763
CID 5977763
CID 6907382
CID 6907382
CID 9584339
CID 9584339
CID 9682183
CID 9682183
CID 25237133
CID 25237133

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(3-chlorobenzoyl)hydrazinylidene]chromene-3-carboxamide?
The IUPAC name of (2E)-2-[(3-chlorobenzoyl)hydrazinylidene]chromene-3-carboxamide (CID 6251232) is (2E)-2-[(3-chlorobenzoyl)hydrazinylidene]chromene-3-carboxamide.
What is the SMILES notation for (2E)-2-[(3-chlorobenzoyl)hydrazinylidene]chromene-3-carboxamide?
The canonical SMILES for (2E)-2-[(3-chlorobenzoyl)hydrazinylidene]chromene-3-carboxamide is NC(=O)c1cc2ccccc2o/c1=N/NC(=O)c1cccc(Cl)c1.
What is the InChIKey of (2E)-2-[(3-chlorobenzoyl)hydrazinylidene]chromene-3-carboxamide?
The InChIKey is OCVTZBWTLWSFBB-HEHNFIMWSA-N. The full InChI is InChI=1S/C17H12ClN3O3/c18-12-6-3-5-11(8-12)16(23)20-21-17-13(15(19)22)9-10-4-1-2-7-14(10)24-17/h1-9H,(H2,19,22)(H,20,23)/b21-17+.
What are the key properties of (2E)-2-[(3-chlorobenzoyl)hydrazinylidene]chromene-3-carboxamide?
(2E)-2-[(3-chlorobenzoyl)hydrazinylidene]chromene-3-carboxamide has a molecular weight of 341.75 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(3-chlorobenzoyl)hydrazinylidene]chromene-3-carboxamide is sourced from PubChem (CID 6251232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).