N-[4-[2-(4-chloro-6-nitroindazole-1-carbonyl)hydrazinyl]phenyl]acetamide

C16H13ClN6O4 — CID 22889976

IUPACN-[4-[2-(4-chloro-6-nitroindazole-1-carbonyl)hydrazinyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NNC(=O)n2ncc3c(Cl)cc([N+](=O)[O-])cc32)cc1
InChIInChI=1S/C16H13ClN6O4/c1-9(24)19-10-2-4-11(5-3-10)20-21-16(25)22-15-7-12(23(26)27)6-14(17)13(15)8-18-22/h2-8,20H,1H3,(H,19,24)(H,21,25)
InChIKeyWFNAWFXRBVMJGY-UHFFFAOYSA-N
MW388.77 g/mol
LogP3.14
Rot. Bonds4

About N-[4-[2-(4-chloro-6-nitroindazole-1-carbonyl)hydrazinyl]phenyl]acetamide

N-[4-[2-(4-chloro-6-nitroindazole-1-carbonyl)hydrazinyl]phenyl]acetamide (PubChem CID 22889976) has the molecular formula C16H13ClN6O4 and a molecular weight of 388.77 g/mol. Its IUPAC name is N-[4-[2-(4-chloro-6-nitroindazole-1-carbonyl)hydrazinyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(4-chloro-6-nitroindazole-1-carbonyl)hydrazinyl]phenyl]acetamide
PubChem CID22889976
Molecular FormulaC16H13ClN6O4
Molecular Weight388.77 g/mol
Exact Mass388.07
IUPAC NameN-[4-[2-(4-chloro-6-nitroindazole-1-carbonyl)hydrazinyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NNC(=O)n2ncc3c(Cl)cc([N+](=O)[O-])cc32)cc1
InChIInChI=1S/C16H13ClN6O4/c1-9(24)19-10-2-4-11(5-3-10)20-21-16(25)22-15-7-12(23(26)27)6-14(17)13(15)8-18-22/h2-8,20H,1H3,(H,19,24)(H,21,25)
InChIKeyWFNAWFXRBVMJGY-UHFFFAOYSA-N
XLogP3.14
TPSA131.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.77
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-(2-chlorophenyl)methylideneamino]-2-(5-nitroindazol-1-yl)acetamide
CID 46934920
5-(2-chloro-4-nitrophenyl)-N-phenylpyrazole-1-carboxamide
CID 2824233
5-(2-chloro-4-nitrophenyl)-N-(4-chlorophenyl)pyrazole-1-carboxamide
CID 2824235
1-(4-Chlorophenyl)-3-[[2-(5-nitroindazol-1-yl)acetyl]amino]thiourea
CID 139214180
5-Chloro-1-(N-(4-fluoro-3-nitrophenyl)carbamoyl)-1H-indazole
CID 4102122
5-Chloro-1-(N-(2-fluoro-5-nitrophenyl)carbamoyl)-1H-indazole
CID 4394847
(2-Chloro-6-fluorophenyl)methyl-methyl-[(6-nitroindazol-1-yl)methyl]azanium
CID 8227209
N-(3-chloro-4-fluorophenyl)-2-(6-nitroindazol-1-yl)acetamide
CID 18134570
N-[4-chloro-3-(trifluoromethyl)phenyl]-6-nitroindazole-1-carboxamide
CID 134086690
n-(3,4-Dichlorophenyl)-6-nitro-1h-indazole-1-carboxamide
CID 267956
1-(N-(5-Chloro-2-methylphenyl)carbamoyl)-6-nitro-1H-indazole
CID 5049400
N-[4-[2-(6-chloro-4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]methanesulfonamide
CID 22889982

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-chloro-6-nitroindazole-1-carbonyl)hydrazinyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(4-chloro-6-nitroindazole-1-carbonyl)hydrazinyl]phenyl]acetamide (CID 22889976) is N-[4-[2-(4-chloro-6-nitroindazole-1-carbonyl)hydrazinyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(4-chloro-6-nitroindazole-1-carbonyl)hydrazinyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(4-chloro-6-nitroindazole-1-carbonyl)hydrazinyl]phenyl]acetamide is CC(=O)Nc1ccc(NNC(=O)n2ncc3c(Cl)cc([N+](=O)[O-])cc32)cc1.
What is the InChIKey of N-[4-[2-(4-chloro-6-nitroindazole-1-carbonyl)hydrazinyl]phenyl]acetamide?
The InChIKey is WFNAWFXRBVMJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN6O4/c1-9(24)19-10-2-4-11(5-3-10)20-21-16(25)22-15-7-12(23(26)27)6-14(17)13(15)8-18-22/h2-8,20H,1H3,(H,19,24)(H,21,25).
What are the key properties of N-[4-[2-(4-chloro-6-nitroindazole-1-carbonyl)hydrazinyl]phenyl]acetamide?
N-[4-[2-(4-chloro-6-nitroindazole-1-carbonyl)hydrazinyl]phenyl]acetamide has a molecular weight of 388.77 g/mol, XLogP of 3.14, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-chloro-6-nitroindazole-1-carbonyl)hydrazinyl]phenyl]acetamide is sourced from PubChem (CID 22889976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).