N'-(3-chlorobenzoyl)-8-ethoxy-2-oxochromene-3-carbohydrazide

C19H15ClN2O5 — CID 16645463

IUPACN'-(3-chlorobenzoyl)-8-ethoxy-2-oxochromene-3-carbohydrazide
SMILESCCOc1cccc2cc(C(=O)NNC(=O)c3cccc(Cl)c3)c(=O)oc12
InChIInChI=1S/C19H15ClN2O5/c1-2-26-15-8-4-5-11-10-14(19(25)27-16(11)15)18(24)22-21-17(23)12-6-3-7-13(20)9-12/h3-10H,2H2,1H3,(H,21,23)(H,22,24)
InChIKeyKMVOYQGCCWIVTK-UHFFFAOYSA-N
MW386.79 g/mol
LogP2.92
Rot. Bonds4

About N'-(3-chlorobenzoyl)-8-ethoxy-2-oxochromene-3-carbohydrazide

N'-(3-chlorobenzoyl)-8-ethoxy-2-oxochromene-3-carbohydrazide (PubChem CID 16645463) has the molecular formula C19H15ClN2O5 and a molecular weight of 386.79 g/mol. Its IUPAC name is N'-(3-chlorobenzoyl)-8-ethoxy-2-oxochromene-3-carbohydrazide.

Molecular Properties

Compound NameN'-(3-chlorobenzoyl)-8-ethoxy-2-oxochromene-3-carbohydrazide
PubChem CID16645463
Molecular FormulaC19H15ClN2O5
Molecular Weight386.79 g/mol
Exact Mass386.07
IUPAC NameN'-(3-chlorobenzoyl)-8-ethoxy-2-oxochromene-3-carbohydrazide
SMILESCCOc1cccc2cc(C(=O)NNC(=O)c3cccc(Cl)c3)c(=O)oc12
InChIInChI=1S/C19H15ClN2O5/c1-2-26-15-8-4-5-11-10-14(19(25)27-16(11)15)18(24)22-21-17(23)12-6-3-7-13(20)9-12/h3-10H,2H2,1H3,(H,21,23)(H,22,24)
InChIKeyKMVOYQGCCWIVTK-UHFFFAOYSA-N
XLogP2.92
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.79
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-ethoxy-N'-(2-hydroxy-5-methoxybenzoyl)-2-oxochromene-3-carbohydrazide
CID 146000873
8-ethoxy-2-oxo-N-phenylchromene-3-carboxamide
CID 4523886
3-acetyl-8-ethoxychromen-2-one
CID 3266617
8-ethoxy-2-oxo-N-(2,4,4-trimethylpentan-2-yl)chromene-3-carboxamide
CID 25252554
ethyl 8-ethoxy-2-oxochromene-3-carboxylate
CID 4084032
8-ethoxy-N-(2-ethylphenyl)-2-oxochromene-3-carboxamide
CID 16645381
8-ethoxy-N-(3-methoxypropyl)-2-oxochromene-3-carboxamide
CID 16645433
8-ethoxy-N-(2-fluorophenyl)-2-oxochromene-3-carboxamide
CID 6460214
2-oxo-N'-(3,4,5-triethoxybenzoyl)chromene-3-carbohydrazide
CID 34250417
N-(1,3-benzothiazol-2-yl)-8-ethoxy-2-oxochromene-3-carboxamide
CID 3475700
N'-[2-[4-(3-chlorobenzoyl)-2-methylphenoxy]acetyl]-2-oxochromene-3-carbohydrazide
CID 72724823
4-[[3-[(3-chlorophenyl)methylcarbamoyl]-8-ethoxychromen-2-ylidene]amino]benzoic acid
CID 4073080

Frequently Asked Questions

What is the IUPAC name of N'-(3-chlorobenzoyl)-8-ethoxy-2-oxochromene-3-carbohydrazide?
The IUPAC name of N'-(3-chlorobenzoyl)-8-ethoxy-2-oxochromene-3-carbohydrazide (CID 16645463) is N'-(3-chlorobenzoyl)-8-ethoxy-2-oxochromene-3-carbohydrazide.
What is the SMILES notation for N'-(3-chlorobenzoyl)-8-ethoxy-2-oxochromene-3-carbohydrazide?
The canonical SMILES for N'-(3-chlorobenzoyl)-8-ethoxy-2-oxochromene-3-carbohydrazide is CCOc1cccc2cc(C(=O)NNC(=O)c3cccc(Cl)c3)c(=O)oc12.
What is the InChIKey of N'-(3-chlorobenzoyl)-8-ethoxy-2-oxochromene-3-carbohydrazide?
The InChIKey is KMVOYQGCCWIVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O5/c1-2-26-15-8-4-5-11-10-14(19(25)27-16(11)15)18(24)22-21-17(23)12-6-3-7-13(20)9-12/h3-10H,2H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N'-(3-chlorobenzoyl)-8-ethoxy-2-oxochromene-3-carbohydrazide?
N'-(3-chlorobenzoyl)-8-ethoxy-2-oxochromene-3-carbohydrazide has a molecular weight of 386.79 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chlorobenzoyl)-8-ethoxy-2-oxochromene-3-carbohydrazide is sourced from PubChem (CID 16645463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).