N'-(2,4-dichlorobenzoyl)-6-methoxy-2-oxochromene-3-carbohydrazide

C18H12Cl2N2O5 — CID 21239589

IUPACN'-(2,4-dichlorobenzoyl)-6-methoxy-2-oxochromene-3-carbohydrazide
SMILESCOc1ccc2oc(=O)c(C(=O)NNC(=O)c3ccc(Cl)cc3Cl)cc2c1
InChIInChI=1S/C18H12Cl2N2O5/c1-26-11-3-5-15-9(6-11)7-13(18(25)27-15)17(24)22-21-16(23)12-4-2-10(19)8-14(12)20/h2-8H,1H3,(H,21,23)(H,22,24)
InChIKeyAPJPIRSEHSVJQP-UHFFFAOYSA-N
MW407.21 g/mol
LogP3.18
Rot. Bonds3

About N'-(2,4-dichlorobenzoyl)-6-methoxy-2-oxochromene-3-carbohydrazide

N'-(2,4-dichlorobenzoyl)-6-methoxy-2-oxochromene-3-carbohydrazide (PubChem CID 21239589) has the molecular formula C18H12Cl2N2O5 and a molecular weight of 407.21 g/mol. Its IUPAC name is N'-(2,4-dichlorobenzoyl)-6-methoxy-2-oxochromene-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2,4-dichlorobenzoyl)-6-methoxy-2-oxochromene-3-carbohydrazide
PubChem CID21239589
Molecular FormulaC18H12Cl2N2O5
Molecular Weight407.21 g/mol
Exact Mass406.01
IUPAC NameN'-(2,4-dichlorobenzoyl)-6-methoxy-2-oxochromene-3-carbohydrazide
SMILESCOc1ccc2oc(=O)c(C(=O)NNC(=O)c3ccc(Cl)cc3Cl)cc2c1
InChIInChI=1S/C18H12Cl2N2O5/c1-26-11-3-5-15-9(6-11)7-13(18(25)27-15)17(24)22-21-16(23)12-4-2-10(19)8-14(12)20/h2-8H,1H3,(H,21,23)(H,22,24)
InChIKeyAPJPIRSEHSVJQP-UHFFFAOYSA-N
XLogP3.18
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.21
LogP ≤ 53.18
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'}

Analyze N'-(2,4-dichlorobenzoyl)-6-methoxy-2-oxochromene-3-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,5-dichlorophenyl)-6-methoxy-2-oxochromene-3-carboxamide
CID 1337843
6-chloro-N-(2,5-dimethoxyphenyl)-2-oxochromene-3-carboxamide
CID 7223522
N-(2,6-difluorophenyl)-6-methoxy-2-oxochromene-3-carboxamide
CID 4059771
6-methoxy-N-(3-methoxypropyl)-2-oxochromene-3-carboxamide
CID 2148152
6-methoxy-2-oxo-N-pyridin-4-ylchromene-3-carboxamide
CID 3786468
6-methoxy-N-naphthalen-2-yl-2-oxochromene-3-carboxamide
CID 16645470
(2-chlorophenyl) 6-methoxy-2-oxochromene-3-carboxylate
CID 2990698
6-methoxy-2-oxo-N-pentan-2-ylchromene-3-carboxamide
CID 133184087
6-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxochromene-3-carboxamide
CID 19207124
6-bromo-N'-(2-chlorobenzoyl)-2-oxochromene-3-carbohydrazide
CID 19133244
6-methoxy-N-(2-methylcyclohexyl)-2-oxochromene-3-carboxamide
CID 2964707
6-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide
CID 4913043

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dichlorobenzoyl)-6-methoxy-2-oxochromene-3-carbohydrazide?
The IUPAC name of N'-(2,4-dichlorobenzoyl)-6-methoxy-2-oxochromene-3-carbohydrazide (CID 21239589) is N'-(2,4-dichlorobenzoyl)-6-methoxy-2-oxochromene-3-carbohydrazide.
What is the SMILES notation for N'-(2,4-dichlorobenzoyl)-6-methoxy-2-oxochromene-3-carbohydrazide?
The canonical SMILES for N'-(2,4-dichlorobenzoyl)-6-methoxy-2-oxochromene-3-carbohydrazide is COc1ccc2oc(=O)c(C(=O)NNC(=O)c3ccc(Cl)cc3Cl)cc2c1.
What is the InChIKey of N'-(2,4-dichlorobenzoyl)-6-methoxy-2-oxochromene-3-carbohydrazide?
The InChIKey is APJPIRSEHSVJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N2O5/c1-26-11-3-5-15-9(6-11)7-13(18(25)27-15)17(24)22-21-16(23)12-4-2-10(19)8-14(12)20/h2-8H,1H3,(H,21,23)(H,22,24).
What are the key properties of N'-(2,4-dichlorobenzoyl)-6-methoxy-2-oxochromene-3-carbohydrazide?
N'-(2,4-dichlorobenzoyl)-6-methoxy-2-oxochromene-3-carbohydrazide has a molecular weight of 407.21 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dichlorobenzoyl)-6-methoxy-2-oxochromene-3-carbohydrazide is sourced from PubChem (CID 21239589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).