2-[(4-fluorobenzoyl)hydrazinylidene]chromene-3-carboxamide

C17H12FN3O3 — CID 5186461

IUPAC2-[(4-fluorobenzoyl)hydrazinylidene]chromene-3-carboxamide
SMILESNC(=O)c1cc2ccccc2oc1=NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H12FN3O3/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)
InChIKeyUOXKAYPWDWMEAO-UHFFFAOYSA-N
MW325.30 g/mol
LogP1.92
Rot. Bonds3

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

2-[(4-fluorobenzoyl)hydrazinylidene]chromene-3-carboxamide (PubChem CID 5186461) has the molecular formula C17H12FN3O3 and a molecular weight of 325.30 g/mol. Its IUPAC name is 2-[(4-fluorobenzoyl)hydrazinylidene]chromene-3-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorobenzoyl)hydrazinylidene]chromene-3-carboxamide
PubChem CID5186461
Molecular FormulaC17H12FN3O3
Molecular Weight325.30 g/mol
Exact Mass325.09
IUPAC Name2-[(4-fluorobenzoyl)hydrazinylidene]chromene-3-carboxamide
SMILESNC(=O)c1cc2ccccc2oc1=NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H12FN3O3/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)
InChIKeyUOXKAYPWDWMEAO-UHFFFAOYSA-N
XLogP1.92
TPSA97.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.30
LogP ≤ 51.92
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

(2Z)-2-[(4-bromobenzoyl)hydrazinylidene]chromene-3-carboxamide
CID 21239666
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-[1-(1-benzofuran-2-yl)ethylideneamino]-4-fluorobenzamide
CID 3509518
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
7-(diethylamino)-2-[(4-thiophen-3-ylbenzoyl)hydrazinylidene]chromene-3-carboxamide
CID 171152179
N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-fluorobenzamide
CID 17414778
(2Z)-2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-N-(4-fluorophenyl)chromene-3-carboxamide
CID 126476223
2-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-(4-fluorophenyl)chromene-3-carboxamide
CID 2135926

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorobenzoyl)hydrazinylidene]chromene-3-carboxamide?
The IUPAC name of 2-[(4-fluorobenzoyl)hydrazinylidene]chromene-3-carboxamide (CID 5186461) is 2-[(4-fluorobenzoyl)hydrazinylidene]chromene-3-carboxamide.
What is the SMILES notation for 2-[(4-fluorobenzoyl)hydrazinylidene]chromene-3-carboxamide?
The canonical SMILES for 2-[(4-fluorobenzoyl)hydrazinylidene]chromene-3-carboxamide is NC(=O)c1cc2ccccc2oc1=NNC(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorobenzoyl)hydrazinylidene]chromene-3-carboxamide?
The InChIKey is UOXKAYPWDWMEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O3/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).
What are the key properties of 2-[(4-fluorobenzoyl)hydrazinylidene]chromene-3-carboxamide?
2-[(4-fluorobenzoyl)hydrazinylidene]chromene-3-carboxamide has a molecular weight of 325.30 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorobenzoyl)hydrazinylidene]chromene-3-carboxamide is sourced from PubChem (CID 5186461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).