2-[(3-chlorobenzoyl)hydrazinylidene]-8-methoxychromene-3-carboxamide

C18H14ClN3O4 — CID 39844710

IUPAC2-[(3-chlorobenzoyl)hydrazinylidene]-8-methoxychromene-3-carboxamide
SMILESCOc1cccc2cc(C(N)=O)c(=NNC(=O)c3cccc(Cl)c3)oc12
InChIInChI=1S/C18H14ClN3O4/c1-25-14-7-3-4-10-9-13(16(20)23)18(26-15(10)14)22-21-17(24)11-5-2-6-12(19)8-11/h2-9H,1H3,(H2,20,23)(H,21,24)
InChIKeyLVDGUHDEUIOIGR-UHFFFAOYSA-N
MW371.78 g/mol
LogP2.44
Rot. Bonds4

About 2-[(3-chlorobenzoyl)hydrazinylidene]-8-methoxychromene-3-carboxamide

2-[(3-chlorobenzoyl)hydrazinylidene]-8-methoxychromene-3-carboxamide (PubChem CID 39844710) has the molecular formula C18H14ClN3O4 and a molecular weight of 371.78 g/mol. Its IUPAC name is 2-[(3-chlorobenzoyl)hydrazinylidene]-8-methoxychromene-3-carboxamide.

Molecular Properties

Compound Name2-[(3-chlorobenzoyl)hydrazinylidene]-8-methoxychromene-3-carboxamide
PubChem CID39844710
Molecular FormulaC18H14ClN3O4
Molecular Weight371.78 g/mol
Exact Mass371.07
IUPAC Name2-[(3-chlorobenzoyl)hydrazinylidene]-8-methoxychromene-3-carboxamide
SMILESCOc1cccc2cc(C(N)=O)c(=NNC(=O)c3cccc(Cl)c3)oc12
InChIInChI=1S/C18H14ClN3O4/c1-25-14-7-3-4-10-9-13(16(20)23)18(26-15(10)14)22-21-17(24)11-5-2-6-12(19)8-11/h2-9H,1H3,(H2,20,23)(H,21,24)
InChIKeyLVDGUHDEUIOIGR-UHFFFAOYSA-N
XLogP2.44
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.78
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)imino-8-methoxychromene-3-carboxamide
CID 51366970
2-(4-chloro-2-methylphenyl)imino-8-methoxychromene-3-carboxamide
CID 51366983
methyl 3-[(3-carbamoyl-8-methoxychromen-2-ylidene)amino]benzoate
CID 51366960
2-(2,4-dimethoxyphenyl)imino-8-methoxychromene-3-carboxamide
CID 51370461
2-[(4-methoxybenzoyl)hydrazinylidene]chromene-3-carboxamide
CID 3459938
8-methoxy-2-(3-methylphenyl)iminochromene-3-carboxamide
CID 4038165
2-(3-fluoro-2-methylphenyl)imino-8-methoxychromene-3-carboxamide
CID 51366994
(2Z)-8-methoxy-2-(phenylhydrazinylidene)chromene-3-carbothioamide
CID 46507592
(2E)-N-(4-chlorophenyl)-2-hydroxyimino-8-methoxychromene-3-carboxamide
CID 5403929
8-methoxy-2-oxochromene-3-carboxamide;methylthiourea
CID 21235892
(2Z)-2-[(4-bromobenzoyl)hydrazinylidene]chromene-3-carboxamide
CID 21239666
N'-(3-chlorobenzoyl)-8-ethoxy-2-oxochromene-3-carbohydrazide
CID 16645463

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorobenzoyl)hydrazinylidene]-8-methoxychromene-3-carboxamide?
The IUPAC name of 2-[(3-chlorobenzoyl)hydrazinylidene]-8-methoxychromene-3-carboxamide (CID 39844710) is 2-[(3-chlorobenzoyl)hydrazinylidene]-8-methoxychromene-3-carboxamide.
What is the SMILES notation for 2-[(3-chlorobenzoyl)hydrazinylidene]-8-methoxychromene-3-carboxamide?
The canonical SMILES for 2-[(3-chlorobenzoyl)hydrazinylidene]-8-methoxychromene-3-carboxamide is COc1cccc2cc(C(N)=O)c(=NNC(=O)c3cccc(Cl)c3)oc12.
What is the InChIKey of 2-[(3-chlorobenzoyl)hydrazinylidene]-8-methoxychromene-3-carboxamide?
The InChIKey is LVDGUHDEUIOIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O4/c1-25-14-7-3-4-10-9-13(16(20)23)18(26-15(10)14)22-21-17(24)11-5-2-6-12(19)8-11/h2-9H,1H3,(H2,20,23)(H,21,24).
What are the key properties of 2-[(3-chlorobenzoyl)hydrazinylidene]-8-methoxychromene-3-carboxamide?
2-[(3-chlorobenzoyl)hydrazinylidene]-8-methoxychromene-3-carboxamide has a molecular weight of 371.78 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorobenzoyl)hydrazinylidene]-8-methoxychromene-3-carboxamide is sourced from PubChem (CID 39844710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).