N-(2-chloro-4-fluorophenyl)-2-(2-methoxy-5-nitroanilino)acetamide

C15H13ClFN3O4 — CID 9079826

IUPACN-(2-chloro-4-fluorophenyl)-2-(2-methoxy-5-nitroanilino)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NCC(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C15H13ClFN3O4/c1-24-14-5-3-10(20(22)23)7-13(14)18-8-15(21)19-12-4-2-9(17)6-11(12)16/h2-7,18H,8H2,1H3,(H,19,21)
InChIKeyMQVCLXFAPSPURA-UHFFFAOYSA-N
MW353.74 g/mol
LogP3.45
Rot. Bonds6

About N-(2-chloro-4-fluorophenyl)-2-(2-methoxy-5-nitroanilino)acetamide

N-(2-chloro-4-fluorophenyl)-2-(2-methoxy-5-nitroanilino)acetamide (PubChem CID 9079826) has the molecular formula C15H13ClFN3O4 and a molecular weight of 353.74 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-(2-methoxy-5-nitroanilino)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-(2-methoxy-5-nitroanilino)acetamide
PubChem CID9079826
Molecular FormulaC15H13ClFN3O4
Molecular Weight353.74 g/mol
Exact Mass353.06
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-(2-methoxy-5-nitroanilino)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NCC(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C15H13ClFN3O4/c1-24-14-5-3-10(20(22)23)7-13(14)18-8-15(21)19-12-4-2-9(17)6-11(12)16/h2-7,18H,8H2,1H3,(H,19,21)
InChIKeyMQVCLXFAPSPURA-UHFFFAOYSA-N
XLogP3.45
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.74
LogP ≤ 53.45
H-Bond Donors ≤ 52
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

2-(2-chloro-4-methylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9099396
N-(2-chloro-4-fluorophenyl)-2-(5-chloro-2-methoxyanilino)acetamide
CID 9099062
2-(4-fluoroanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9098658
N-(3,5-dichlorophenyl)-2-(2-methoxy-5-nitroanilino)acetamide
CID 9079831
N-[(4-fluorophenyl)methyl]-2-(2-methoxy-5-nitroanilino)acetamide
CID 33173731
2-(4-chloro-2-fluoroanilino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 4786705
2-(2,4-dimethylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9081065
2-(2-chloro-4-fluoroanilino)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 9099548
2-(2-methoxy-5-nitroanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 26415999
2-(5-chloro-2-methoxyanilino)-N-(2,4-dichlorophenyl)acetamide
CID 9099077
2-(2-chloro-4-fluoroanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9099540
2-(2,3-dimethylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9080810

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-(2-methoxy-5-nitroanilino)acetamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-(2-methoxy-5-nitroanilino)acetamide (CID 9079826) is N-(2-chloro-4-fluorophenyl)-2-(2-methoxy-5-nitroanilino)acetamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-(2-methoxy-5-nitroanilino)acetamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-(2-methoxy-5-nitroanilino)acetamide is COc1ccc([N+](=O)[O-])cc1NCC(=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-(2-methoxy-5-nitroanilino)acetamide?
The InChIKey is MQVCLXFAPSPURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3O4/c1-24-14-5-3-10(20(22)23)7-13(14)18-8-15(21)19-12-4-2-9(17)6-11(12)16/h2-7,18H,8H2,1H3,(H,19,21).
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-(2-methoxy-5-nitroanilino)acetamide?
N-(2-chloro-4-fluorophenyl)-2-(2-methoxy-5-nitroanilino)acetamide has a molecular weight of 353.74 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-2-(2-methoxy-5-nitroanilino)acetamide is sourced from PubChem (CID 9079826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).