N-(5-chloro-2-methoxyphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide

C11H10ClN5O4 — CID 779326

IUPACN-(5-chloro-2-methoxyphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)Cn1cnc([N+](=O)[O-])n1
InChIInChI=1S/C11H10ClN5O4/c1-21-9-3-2-7(12)4-8(9)14-10(18)5-16-6-13-11(15-16)17(19)20/h2-4,6H,5H2,1H3,(H,14,18)
InChIKeyFWQZCPYUYCSWLO-UHFFFAOYSA-N
MW311.69 g/mol
LogP1.49
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide

N-(5-chloro-2-methoxyphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide (PubChem CID 779326) has the molecular formula C11H10ClN5O4 and a molecular weight of 311.69 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
PubChem CID779326
Molecular FormulaC11H10ClN5O4
Molecular Weight311.69 g/mol
Exact Mass311.04
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)Cn1cnc([N+](=O)[O-])n1
InChIInChI=1S/C11H10ClN5O4/c1-21-9-3-2-7(12)4-8(9)14-10(18)5-16-6-13-11(15-16)17(19)20/h2-4,6H,5H2,1H3,(H,14,18)
InChIKeyFWQZCPYUYCSWLO-UHFFFAOYSA-N
XLogP1.49
TPSA112.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.69
LogP ≤ 51.49
H-Bond Donors ≤ 51
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-(2,4-dimethoxyphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CID 749626
N-(5-chloro-2-methoxyphenyl)-N'-4H-1,2,4-triazol-4-ylurea
CID 971074
N-(5-chloro-2-methoxyphenyl)-1-phenyl-1H-1,2,4-triazole-3-carboxamide
CID 15990132
N-[4-(4-chlorophenoxy)phenyl]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CID 122188135
N-[4-(4-chlorophenoxy)phenyl]-3-(3-nitro-1,2,4-triazol-1-yl)propanamide
CID 145974019
N-(5-chloro-2-hydroxyphenyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide
CID 5056537
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-(tetrazol-1-yl)acetamide
CID 9119281
N-(2-methoxyphenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
CID 698772
N-(5-chloro-2-ethoxyphenyl)-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 53577910
N-[4-(4-chlorophenoxy)phenyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 122188137
N-(4-chloro-2,5-dimethoxyphenyl)-2-{3-nitro-1H-1,2,4-triazol-1-yl}acetamide
CID 749664
N-(4-chloro-2-methoxyphenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
CID 749665

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide (CID 779326) is N-(5-chloro-2-methoxyphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide is COc1ccc(Cl)cc1NC(=O)Cn1cnc([N+](=O)[O-])n1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide?
The InChIKey is FWQZCPYUYCSWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5O4/c1-21-9-3-2-7(12)4-8(9)14-10(18)5-16-6-13-11(15-16)17(19)20/h2-4,6H,5H2,1H3,(H,14,18).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide?
N-(5-chloro-2-methoxyphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide has a molecular weight of 311.69 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 779326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).