N-(3-chloro-4-fluorophenyl)-2-(3-methyl-5-nitroindazol-1-yl)acetamide

C16H12ClFN4O3 — CID 71847555

IUPACN-(3-chloro-4-fluorophenyl)-2-(3-methyl-5-nitroindazol-1-yl)acetamide
SMILESCc1nn(CC(=O)Nc2ccc(F)c(Cl)c2)c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C16H12ClFN4O3/c1-9-12-7-11(22(24)25)3-5-15(12)21(20-9)8-16(23)19-10-2-4-14(18)13(17)6-10/h2-7H,8H2,1H3,(H,19,23)
InChIKeyLNNNDRFMEDCFHQ-UHFFFAOYSA-N
MW362.75 g/mol
LogP3.68
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-2-(3-methyl-5-nitroindazol-1-yl)acetamide

N-(3-chloro-4-fluorophenyl)-2-(3-methyl-5-nitroindazol-1-yl)acetamide (PubChem CID 71847555) has the molecular formula C16H12ClFN4O3 and a molecular weight of 362.75 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(3-methyl-5-nitroindazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(3-methyl-5-nitroindazol-1-yl)acetamide
PubChem CID71847555
Molecular FormulaC16H12ClFN4O3
Molecular Weight362.75 g/mol
Exact Mass362.06
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(3-methyl-5-nitroindazol-1-yl)acetamide
SMILESCc1nn(CC(=O)Nc2ccc(F)c(Cl)c2)c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C16H12ClFN4O3/c1-9-12-7-11(22(24)25)3-5-15(12)21(20-9)8-16(23)19-10-2-4-14(18)13(17)6-10/h2-7H,8H2,1H3,(H,19,23)
InChIKeyLNNNDRFMEDCFHQ-UHFFFAOYSA-N
XLogP3.68
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.75
LogP ≤ 53.68
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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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(3-methyl-5-nitroindazol-1-yl)acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(3-methyl-5-nitroindazol-1-yl)acetamide (CID 71847555) is N-(3-chloro-4-fluorophenyl)-2-(3-methyl-5-nitroindazol-1-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(3-methyl-5-nitroindazol-1-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(3-methyl-5-nitroindazol-1-yl)acetamide is Cc1nn(CC(=O)Nc2ccc(F)c(Cl)c2)c2ccc([N+](=O)[O-])cc12.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(3-methyl-5-nitroindazol-1-yl)acetamide?
The InChIKey is LNNNDRFMEDCFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN4O3/c1-9-12-7-11(22(24)25)3-5-15(12)21(20-9)8-16(23)19-10-2-4-14(18)13(17)6-10/h2-7H,8H2,1H3,(H,19,23).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(3-methyl-5-nitroindazol-1-yl)acetamide?
N-(3-chloro-4-fluorophenyl)-2-(3-methyl-5-nitroindazol-1-yl)acetamide has a molecular weight of 362.75 g/mol, XLogP of 3.68, 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-(3-methyl-5-nitroindazol-1-yl)acetamide is sourced from PubChem (CID 71847555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).