N'-(2-bromobenzoyl)-7-ethoxy-2-oxochromene-3-carbohydrazide

C19H15BrN2O5 — CID 5263152

IUPACN'-(2-bromobenzoyl)-7-ethoxy-2-oxochromene-3-carbohydrazide
SMILESCCOc1ccc2cc(C(=O)NNC(=O)c3ccccc3Br)c(=O)oc2c1
InChIInChI=1S/C19H15BrN2O5/c1-2-26-12-8-7-11-9-14(19(25)27-16(11)10-12)18(24)22-21-17(23)13-5-3-4-6-15(13)20/h3-10H,2H2,1H3,(H,21,23)(H,22,24)
InChIKeyRDHVUAHJPIOHIB-UHFFFAOYSA-N
MW431.24 g/mol
LogP3.03
Rot. Bonds4

About N'-(2-bromobenzoyl)-7-ethoxy-2-oxochromene-3-carbohydrazide

N'-(2-bromobenzoyl)-7-ethoxy-2-oxochromene-3-carbohydrazide (PubChem CID 5263152) has the molecular formula C19H15BrN2O5 and a molecular weight of 431.24 g/mol. Its IUPAC name is N'-(2-bromobenzoyl)-7-ethoxy-2-oxochromene-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2-bromobenzoyl)-7-ethoxy-2-oxochromene-3-carbohydrazide
PubChem CID5263152
Molecular FormulaC19H15BrN2O5
Molecular Weight431.24 g/mol
Exact Mass430.02
IUPAC NameN'-(2-bromobenzoyl)-7-ethoxy-2-oxochromene-3-carbohydrazide
SMILESCCOc1ccc2cc(C(=O)NNC(=O)c3ccccc3Br)c(=O)oc2c1
InChIInChI=1S/C19H15BrN2O5/c1-2-26-12-8-7-11-9-14(19(25)27-16(11)10-12)18(24)22-21-17(23)13-5-3-4-6-15(13)20/h3-10H,2H2,1H3,(H,21,23)(H,22,24)
InChIKeyRDHVUAHJPIOHIB-UHFFFAOYSA-N
XLogP3.03
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.24
LogP ≤ 53.03
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

methyl 2-[(7-ethoxy-2-oxochromene-3-carbonyl)amino]benzoate
CID 5262911
N'-(7-ethoxy-2-oxochromene-3-carbonyl)pyridine-4-carbohydrazide
CID 5263160
7-ethoxy-3-(7-ethoxy-2-oxochromene-3-carbonyl)chromen-2-one
CID 139788868
N-(2-chlorophenyl)-7-ethoxy-2-oxochromene-3-carboxamide
CID 5262992
7-ethoxy-2-oxo-N-(4-phenyldiazenylphenyl)chromene-3-carboxamide
CID 5262935
7-ethoxy-2-oxo-N-prop-2-enylchromene-3-carboxamide
CID 5262767
7-ethoxy-N-(4-ethylphenyl)-2-oxochromene-3-carboxamide
CID 5262694
7-ethoxy-N-(furan-2-ylmethyl)-2-oxochromene-3-carboxamide
CID 5262910
N-(2,5-dimethylphenyl)-7-ethoxy-2-oxochromene-3-carboxamide
CID 5262710
7-methoxy-2-oxo-N'-(2-phenylacetyl)chromene-3-carbohydrazide
CID 5262581
N'-(2-oxo-7-propoxychromene-3-carbonyl)pyridine-4-carbohydrazide
CID 5263838
7-ethoxy-2-oxo-N-(2-piperidin-1-ylethyl)chromene-3-carboxamide
CID 5262868

Frequently Asked Questions

What is the IUPAC name of N'-(2-bromobenzoyl)-7-ethoxy-2-oxochromene-3-carbohydrazide?
The IUPAC name of N'-(2-bromobenzoyl)-7-ethoxy-2-oxochromene-3-carbohydrazide (CID 5263152) is N'-(2-bromobenzoyl)-7-ethoxy-2-oxochromene-3-carbohydrazide.
What is the SMILES notation for N'-(2-bromobenzoyl)-7-ethoxy-2-oxochromene-3-carbohydrazide?
The canonical SMILES for N'-(2-bromobenzoyl)-7-ethoxy-2-oxochromene-3-carbohydrazide is CCOc1ccc2cc(C(=O)NNC(=O)c3ccccc3Br)c(=O)oc2c1.
What is the InChIKey of N'-(2-bromobenzoyl)-7-ethoxy-2-oxochromene-3-carbohydrazide?
The InChIKey is RDHVUAHJPIOHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN2O5/c1-2-26-12-8-7-11-9-14(19(25)27-16(11)10-12)18(24)22-21-17(23)13-5-3-4-6-15(13)20/h3-10H,2H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N'-(2-bromobenzoyl)-7-ethoxy-2-oxochromene-3-carbohydrazide?
N'-(2-bromobenzoyl)-7-ethoxy-2-oxochromene-3-carbohydrazide has a molecular weight of 431.24 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bromobenzoyl)-7-ethoxy-2-oxochromene-3-carbohydrazide is sourced from PubChem (CID 5263152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).