N'-(2-chloro-3-fluorophenyl)-2,2-dimethylchromene-6-carbohydrazide

C18H16ClFN2O2 — CID 171487223

IUPACN'-(2-chloro-3-fluorophenyl)-2,2-dimethylchromene-6-carbohydrazide
SMILESCC1(C)C=Cc2cc(C(=O)NNc3cccc(F)c3Cl)ccc2O1
InChIInChI=1S/C18H16ClFN2O2/c1-18(2)9-8-11-10-12(6-7-15(11)24-18)17(23)22-21-14-5-3-4-13(20)16(14)19/h3-10,21H,1-2H3,(H,22,23)
InChIKeyXZIGCDOPBCHYEQ-UHFFFAOYSA-N
MW346.79 g/mol
LogP4.42
Rot. Bonds3

About N'-(2-chloro-3-fluorophenyl)-2,2-dimethylchromene-6-carbohydrazide

N'-(2-chloro-3-fluorophenyl)-2,2-dimethylchromene-6-carbohydrazide (PubChem CID 171487223) has the molecular formula C18H16ClFN2O2 and a molecular weight of 346.79 g/mol. Its IUPAC name is N'-(2-chloro-3-fluorophenyl)-2,2-dimethylchromene-6-carbohydrazide.

Molecular Properties

Compound NameN'-(2-chloro-3-fluorophenyl)-2,2-dimethylchromene-6-carbohydrazide
PubChem CID171487223
Molecular FormulaC18H16ClFN2O2
Molecular Weight346.79 g/mol
Exact Mass346.09
IUPAC NameN'-(2-chloro-3-fluorophenyl)-2,2-dimethylchromene-6-carbohydrazide
SMILESCC1(C)C=Cc2cc(C(=O)NNc3cccc(F)c3Cl)ccc2O1
InChIInChI=1S/C18H16ClFN2O2/c1-18(2)9-8-11-10-12(6-7-15(11)24-18)17(23)22-21-14-5-3-4-13(20)16(14)19/h3-10,21H,1-2H3,(H,22,23)
InChIKeyXZIGCDOPBCHYEQ-UHFFFAOYSA-N
XLogP4.42
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.79
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-(2-chloro-3-fluorophenyl)-2,2-dimethylchromene-6-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(2,4-difluorophenyl)-2,2-dimethylchromene-6-carbohydrazide
CID 171487215
2,2-dimethyl-N'-(2-methylphenyl)chromene-6-carbohydrazide
CID 171487218
N-(3,4-dimethylphenyl)-2,2-dimethylchromene-6-carboxamide
CID 118199582
N-(3-methoxy-4-methylphenyl)-2,2-dimethylchromene-6-carboxamide
CID 118199635
N-[(3-methoxy-4-methylphenyl)methyl]-2,2-dimethylchromene-6-carboxamide
CID 118199581
(2-chloro-3-fluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone
CID 81454812
3-N-(2-chloro-3-fluorophenyl)benzene-1,3-dicarboxamide
CID 172768302
2,2-dimethyl-6-methylsulfonylchromene
CID 14210386
(2,2-dimethylchromen-6-yl) 3-methylbutanoate
CID 174537350
N-(2-bromo-3-chlorophenyl)-4-fluoro-3-methylbenzamide
CID 103478813
5-bromo-N-(2-chloro-6-fluorophenyl)-6-fluoro-2,2-dimethylchromene-8-carboxamide
CID 162364562
3-[(2,2-difluoro-1,3-benzodioxole-5-carbonyl)amino]-2-fluorobenzoyl chloride
CID 146573647

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-3-fluorophenyl)-2,2-dimethylchromene-6-carbohydrazide?
The IUPAC name of N'-(2-chloro-3-fluorophenyl)-2,2-dimethylchromene-6-carbohydrazide (CID 171487223) is N'-(2-chloro-3-fluorophenyl)-2,2-dimethylchromene-6-carbohydrazide.
What is the SMILES notation for N'-(2-chloro-3-fluorophenyl)-2,2-dimethylchromene-6-carbohydrazide?
The canonical SMILES for N'-(2-chloro-3-fluorophenyl)-2,2-dimethylchromene-6-carbohydrazide is CC1(C)C=Cc2cc(C(=O)NNc3cccc(F)c3Cl)ccc2O1.
What is the InChIKey of N'-(2-chloro-3-fluorophenyl)-2,2-dimethylchromene-6-carbohydrazide?
The InChIKey is XZIGCDOPBCHYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2O2/c1-18(2)9-8-11-10-12(6-7-15(11)24-18)17(23)22-21-14-5-3-4-13(20)16(14)19/h3-10,21H,1-2H3,(H,22,23).
What are the key properties of N'-(2-chloro-3-fluorophenyl)-2,2-dimethylchromene-6-carbohydrazide?
N'-(2-chloro-3-fluorophenyl)-2,2-dimethylchromene-6-carbohydrazide has a molecular weight of 346.79 g/mol, XLogP of 4.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloro-3-fluorophenyl)-2,2-dimethylchromene-6-carbohydrazide is sourced from PubChem (CID 171487223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).