N-(3-chloro-4-fluorophenyl)-2-(6-nitroindazol-1-yl)acetamide

C15H10ClFN4O3 — CID 18134570

IUPACN-(3-chloro-4-fluorophenyl)-2-(6-nitroindazol-1-yl)acetamide
SMILESO=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H10ClFN4O3/c16-12-5-10(2-4-13(12)17)19-15(22)8-20-14-6-11(21(23)24)3-1-9(14)7-18-20/h1-7H,8H2,(H,19,22)
InChIKeyAHRZYYUPYFSENV-UHFFFAOYSA-N
MW348.72 g/mol
LogP3.38
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-2-(6-nitroindazol-1-yl)acetamide

N-(3-chloro-4-fluorophenyl)-2-(6-nitroindazol-1-yl)acetamide (PubChem CID 18134570) has the molecular formula C15H10ClFN4O3 and a molecular weight of 348.72 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(6-nitroindazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(6-nitroindazol-1-yl)acetamide
PubChem CID18134570
Molecular FormulaC15H10ClFN4O3
Molecular Weight348.72 g/mol
Exact Mass348.04
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(6-nitroindazol-1-yl)acetamide
SMILESO=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H10ClFN4O3/c16-12-5-10(2-4-13(12)17)19-15(22)8-20-14-6-11(21(23)24)3-1-9(14)7-18-20/h1-7H,8H2,(H,19,22)
InChIKeyAHRZYYUPYFSENV-UHFFFAOYSA-N
XLogP3.38
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.72
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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~1~-(3-chloro-4-methylphenyl)-2-(4,5,6,7-tetrahydro-2H-indazol-2-yl)acetamide
CID 16012174
N-(2-chloro-4-methylphenyl)-2-(1H-indazol-1-yl)acetamide
CID 20885359
2-(6-Chloro-1H-indazol-1-YL)-N-[(4-fluorophenyl)methyl]acetamide
CID 16016614
2-(4-chloro-1H-indazol-1-yl)-N~1~-(3-fluorobenzyl)acetamide
CID 16016640
N-(4-Chloro-3-fluorophenyl)-N'-(1H-indazol-4-yl)ethanediamide
CID 46199605
2-(4-Chloro-1H-indazol-1-YL)-N-[(3-chlorophenyl)methyl]acetamide
CID 16016642
N-[(E)-(2-chlorophenyl)methylideneamino]-2-(5-nitroindazol-1-yl)acetamide
CID 46934920
N-[(E)-(4-chlorophenyl)methylideneamino]-2-(5-nitroindazol-1-yl)acetamide
CID 46934921
3-(4-chloroindazol-1-yl)-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 52006466
N-(4-chlorobenzyl)-2-(1H-indazol-1-yl)acetamide
CID 6625263
2-(4-chloroindazol-1-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 6625503
N-benzyl-2-(6-chloro-1H-indazol-1-yl)acetamide
CID 22509966

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(6-nitroindazol-1-yl)acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(6-nitroindazol-1-yl)acetamide (CID 18134570) is N-(3-chloro-4-fluorophenyl)-2-(6-nitroindazol-1-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(6-nitroindazol-1-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(6-nitroindazol-1-yl)acetamide is O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(6-nitroindazol-1-yl)acetamide?
The InChIKey is AHRZYYUPYFSENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN4O3/c16-12-5-10(2-4-13(12)17)19-15(22)8-20-14-6-11(21(23)24)3-1-9(14)7-18-20/h1-7H,8H2,(H,19,22).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(6-nitroindazol-1-yl)acetamide?
N-(3-chloro-4-fluorophenyl)-2-(6-nitroindazol-1-yl)acetamide has a molecular weight of 348.72 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-(6-nitroindazol-1-yl)acetamide is sourced from PubChem (CID 18134570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).