N'-(2,4-difluorophenyl)-2,2-dimethylchromene-6-carbohydrazide

C18H16F2N2O2 — CID 171487215

IUPACN'-(2,4-difluorophenyl)-2,2-dimethylchromene-6-carbohydrazide
SMILESCC1(C)C=Cc2cc(C(=O)NNc3ccc(F)cc3F)ccc2O1
InChIInChI=1S/C18H16F2N2O2/c1-18(2)8-7-11-9-12(3-6-16(11)24-18)17(23)22-21-15-5-4-13(19)10-14(15)20/h3-10,21H,1-2H3,(H,22,23)
InChIKeyJMJPGSMJGBMQDM-UHFFFAOYSA-N
MW330.33 g/mol
LogP3.91
Rot. Bonds3

About N'-(2,4-difluorophenyl)-2,2-dimethylchromene-6-carbohydrazide

N'-(2,4-difluorophenyl)-2,2-dimethylchromene-6-carbohydrazide (PubChem CID 171487215) has the molecular formula C18H16F2N2O2 and a molecular weight of 330.33 g/mol. Its IUPAC name is N'-(2,4-difluorophenyl)-2,2-dimethylchromene-6-carbohydrazide.

Molecular Properties

Compound NameN'-(2,4-difluorophenyl)-2,2-dimethylchromene-6-carbohydrazide
PubChem CID171487215
Molecular FormulaC18H16F2N2O2
Molecular Weight330.33 g/mol
Exact Mass330.12
IUPAC NameN'-(2,4-difluorophenyl)-2,2-dimethylchromene-6-carbohydrazide
SMILESCC1(C)C=Cc2cc(C(=O)NNc3ccc(F)cc3F)ccc2O1
InChIInChI=1S/C18H16F2N2O2/c1-18(2)8-7-11-9-12(3-6-16(11)24-18)17(23)22-21-15-5-4-13(19)10-14(15)20/h3-10,21H,1-2H3,(H,22,23)
InChIKeyJMJPGSMJGBMQDM-UHFFFAOYSA-N
XLogP3.91
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Benzoic acid, 4-methoxy-, 2-phenylhydrazide
CID 27022
N'-(2,6-dimethylphenyl)-4-ethoxybenzohydrazide
CID 141756640
2-(4-Fluoroanilino)-6-(2,4,6-trimethylphenoxy)pyridazin-3-one
CID 56666783
N'-(2,6-dimethylphenyl)-4-methoxybenzohydrazide
CID 12679169
N'-(2,6-difluorophenyl)-4-methoxybenzohydrazide
CID 127034361
N'-(2,6-difluorophenyl)-4-ethoxybenzohydrazide
CID 127034362
6-(2,6-Dimethylphenoxy)-2-(4-fluoroanilino)pyridazin-3-one
CID 56659889
2,4-difluoro-N'-(4-methoxyphenyl)benzohydrazide
CID 172446518
4-(Octyloxy)-3-(trifluoromethyl)benzohydrazide
CID 53349360
2-(2-fluoro-4-methoxybenzoyl)-N-(2-methoxyphenyl) hydrazine
CID 166594836
4-(oxolan-2-ylmethoxy)-N'-(2,3,5,6-tetrafluorophenyl)benzohydrazide
CID 3372557
2,6-difluoro-N'-[4-[4-(trifluoromethoxy)phenyl]phenyl]benzohydrazide
CID 11761352

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-difluorophenyl)-2,2-dimethylchromene-6-carbohydrazide?
The IUPAC name of N'-(2,4-difluorophenyl)-2,2-dimethylchromene-6-carbohydrazide (CID 171487215) is N'-(2,4-difluorophenyl)-2,2-dimethylchromene-6-carbohydrazide.
What is the SMILES notation for N'-(2,4-difluorophenyl)-2,2-dimethylchromene-6-carbohydrazide?
The canonical SMILES for N'-(2,4-difluorophenyl)-2,2-dimethylchromene-6-carbohydrazide is CC1(C)C=Cc2cc(C(=O)NNc3ccc(F)cc3F)ccc2O1.
What is the InChIKey of N'-(2,4-difluorophenyl)-2,2-dimethylchromene-6-carbohydrazide?
The InChIKey is JMJPGSMJGBMQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O2/c1-18(2)8-7-11-9-12(3-6-16(11)24-18)17(23)22-21-15-5-4-13(19)10-14(15)20/h3-10,21H,1-2H3,(H,22,23).
What are the key properties of N'-(2,4-difluorophenyl)-2,2-dimethylchromene-6-carbohydrazide?
N'-(2,4-difluorophenyl)-2,2-dimethylchromene-6-carbohydrazide has a molecular weight of 330.33 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-difluorophenyl)-2,2-dimethylchromene-6-carbohydrazide is sourced from PubChem (CID 171487215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).