2-(4-chloro-2-fluoroanilino)-N-(2-methoxy-4-nitrophenyl)acetamide

C15H13ClFN3O4 — CID 4786705

IUPAC2-(4-chloro-2-fluoroanilino)-N-(2-methoxy-4-nitrophenyl)acetamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccc(Cl)cc1F
InChIInChI=1S/C15H13ClFN3O4/c1-24-14-7-10(20(22)23)3-5-13(14)19-15(21)8-18-12-4-2-9(16)6-11(12)17/h2-7,18H,8H2,1H3,(H,19,21)
InChIKeyLKMUWDHGJUUOKP-UHFFFAOYSA-N
MW353.74 g/mol
LogP3.45
Rot. Bonds6

About 2-(4-chloro-2-fluoroanilino)-N-(2-methoxy-4-nitrophenyl)acetamide

2-(4-chloro-2-fluoroanilino)-N-(2-methoxy-4-nitrophenyl)acetamide (PubChem CID 4786705) has the molecular formula C15H13ClFN3O4 and a molecular weight of 353.74 g/mol. Its IUPAC name is 2-(4-chloro-2-fluoroanilino)-N-(2-methoxy-4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-fluoroanilino)-N-(2-methoxy-4-nitrophenyl)acetamide
PubChem CID4786705
Molecular FormulaC15H13ClFN3O4
Molecular Weight353.74 g/mol
Exact Mass353.06
IUPAC Name2-(4-chloro-2-fluoroanilino)-N-(2-methoxy-4-nitrophenyl)acetamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccc(Cl)cc1F
InChIInChI=1S/C15H13ClFN3O4/c1-24-14-7-10(20(22)23)3-5-13(14)19-15(21)8-18-12-4-2-9(16)6-11(12)17/h2-7,18H,8H2,1H3,(H,19,21)
InChIKeyLKMUWDHGJUUOKP-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-(4-chloro-2-fluoroanilino)-N-(4-nitrophenyl)acetamide
CID 9099675
2-(3-chloro-4-fluorophenyl)sulfanyl-N-(2-methoxy-4-nitrophenyl)acetamide
CID 8680444
2-(4-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 2892197
2-(ethylamino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 60641116
N-(2-chloro-4-fluorophenyl)-2-(2-methoxy-5-nitroanilino)acetamide
CID 9079826
2-(2,6-dimethylanilino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 30706268
2-(2,4-dichlorophenoxy)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 2903084
2-(2-chloro-4-methylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9099396
1-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-4-nitrophenyl)urea
CID 108875488
N-(4-chloro-2-fluorophenyl)-2-(3-nitroanilino)acetamide
CID 9081448
N-(3,5-dichlorophenyl)-2-(2-methoxy-5-nitroanilino)acetamide
CID 9079831
2-(4-ethoxyanilino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 134008031

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluoroanilino)-N-(2-methoxy-4-nitrophenyl)acetamide?
The IUPAC name of 2-(4-chloro-2-fluoroanilino)-N-(2-methoxy-4-nitrophenyl)acetamide (CID 4786705) is 2-(4-chloro-2-fluoroanilino)-N-(2-methoxy-4-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-fluoroanilino)-N-(2-methoxy-4-nitrophenyl)acetamide?
The canonical SMILES for 2-(4-chloro-2-fluoroanilino)-N-(2-methoxy-4-nitrophenyl)acetamide is COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccc(Cl)cc1F.
What is the InChIKey of 2-(4-chloro-2-fluoroanilino)-N-(2-methoxy-4-nitrophenyl)acetamide?
The InChIKey is LKMUWDHGJUUOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3O4/c1-24-14-7-10(20(22)23)3-5-13(14)19-15(21)8-18-12-4-2-9(16)6-11(12)17/h2-7,18H,8H2,1H3,(H,19,21).
What are the key properties of 2-(4-chloro-2-fluoroanilino)-N-(2-methoxy-4-nitrophenyl)acetamide?
2-(4-chloro-2-fluoroanilino)-N-(2-methoxy-4-nitrophenyl)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 2-(4-chloro-2-fluoroanilino)-N-(2-methoxy-4-nitrophenyl)acetamide is sourced from PubChem (CID 4786705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).