(2Z)-2-[(4-bromobenzoyl)hydrazinylidene]chromene-3-carboxamide

C17H12BrN3O3 — CID 21239666

IUPAC(2Z)-2-[(4-bromobenzoyl)hydrazinylidene]chromene-3-carboxamide
SMILESNC(=O)c1cc2ccccc2o/c1=N\NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H12BrN3O3/c18-12-7-5-10(6-8-12)16(23)20-21-17-13(15(19)22)9-11-3-1-2-4-14(11)24-17/h1-9H,(H2,19,22)(H,20,23)/b21-17-
InChIKeyONVFRWAQJGIMQT-FXBPSFAMSA-N
MW386.21 g/mol
LogP2.54
Rot. Bonds3

About (2Z)-2-[(4-bromobenzoyl)hydrazinylidene]chromene-3-carboxamide

(2Z)-2-[(4-bromobenzoyl)hydrazinylidene]chromene-3-carboxamide (PubChem CID 21239666) has the molecular formula C17H12BrN3O3 and a molecular weight of 386.21 g/mol. Its IUPAC name is (2Z)-2-[(4-bromobenzoyl)hydrazinylidene]chromene-3-carboxamide.

Molecular Properties

Compound Name(2Z)-2-[(4-bromobenzoyl)hydrazinylidene]chromene-3-carboxamide
PubChem CID21239666
Molecular FormulaC17H12BrN3O3
Molecular Weight386.21 g/mol
Exact Mass385.01
IUPAC Name(2Z)-2-[(4-bromobenzoyl)hydrazinylidene]chromene-3-carboxamide
SMILESNC(=O)c1cc2ccccc2o/c1=N\NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H12BrN3O3/c18-12-7-5-10(6-8-12)16(23)20-21-17-13(15(19)22)9-11-3-1-2-4-14(11)24-17/h1-9H,(H2,19,22)(H,20,23)/b21-17-
InChIKeyONVFRWAQJGIMQT-FXBPSFAMSA-N
XLogP2.54
TPSA97.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.21
LogP ≤ 52.54
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

2-[(4-fluorobenzoyl)hydrazinylidene]chromene-3-carboxamide
CID 5186461
2-[(4-methoxybenzoyl)hydrazinylidene]chromene-3-carboxamide
CID 3459938
(2E)-2-[(4-ethoxybenzoyl)hydrazinylidene]chromene-3-carboxamide
CID 95796044
2-[(3-nitrobenzoyl)hydrazinylidene]chromene-3-carboxamide
CID 3876523
[(3-acetylchromen-2-ylidene)amino]thiourea
CID 123442126
N-[(E)-(3-carbamoylchromen-2-ylidene)amino]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 95796047
6-methoxy-2-[(4-nitrobenzoyl)hydrazinylidene]chromene-3-carboxamide
CID 3576903
6-bromo-2-phenyliminochromene-3-carboxamide
CID 747316
2-(4-benzoylphenyl)imino-6-bromochromene-3-carboxamide
CID 4560210
7-(diethylamino)-2-[(4-thiophen-3-ylbenzoyl)hydrazinylidene]chromene-3-carboxamide
CID 171152179
5-bromo-2-(2-oxochromen-3-yl)benzamide
CID 91688734
2-(4-acetylphenyl)imino-6-bromochromene-3-carboxamide
CID 4260167

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(4-bromobenzoyl)hydrazinylidene]chromene-3-carboxamide?
The IUPAC name of (2Z)-2-[(4-bromobenzoyl)hydrazinylidene]chromene-3-carboxamide (CID 21239666) is (2Z)-2-[(4-bromobenzoyl)hydrazinylidene]chromene-3-carboxamide.
What is the SMILES notation for (2Z)-2-[(4-bromobenzoyl)hydrazinylidene]chromene-3-carboxamide?
The canonical SMILES for (2Z)-2-[(4-bromobenzoyl)hydrazinylidene]chromene-3-carboxamide is NC(=O)c1cc2ccccc2o/c1=N\NC(=O)c1ccc(Br)cc1.
What is the InChIKey of (2Z)-2-[(4-bromobenzoyl)hydrazinylidene]chromene-3-carboxamide?
The InChIKey is ONVFRWAQJGIMQT-FXBPSFAMSA-N. The full InChI is InChI=1S/C17H12BrN3O3/c18-12-7-5-10(6-8-12)16(23)20-21-17-13(15(19)22)9-11-3-1-2-4-14(11)24-17/h1-9H,(H2,19,22)(H,20,23)/b21-17-.
What are the key properties of (2Z)-2-[(4-bromobenzoyl)hydrazinylidene]chromene-3-carboxamide?
(2Z)-2-[(4-bromobenzoyl)hydrazinylidene]chromene-3-carboxamide has a molecular weight of 386.21 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(4-bromobenzoyl)hydrazinylidene]chromene-3-carboxamide is sourced from PubChem (CID 21239666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).