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

C15H13ClFN3O4 — CID 9099548

IUPAC2-(2-chloro-4-fluoroanilino)-N-(4-methoxy-2-nitrophenyl)acetamide
SMILESCOc1ccc(NC(=O)CNc2ccc(F)cc2Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C15H13ClFN3O4/c1-24-10-3-5-13(14(7-10)20(22)23)19-15(21)8-18-12-4-2-9(17)6-11(12)16/h2-7,18H,8H2,1H3,(H,19,21)
InChIKeyGPKBDBJZBFQCKS-UHFFFAOYSA-N
MW353.74 g/mol
LogP3.45
Rot. Bonds6

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

2-(2-chloro-4-fluoroanilino)-N-(4-methoxy-2-nitrophenyl)acetamide (PubChem CID 9099548) has the molecular formula C15H13ClFN3O4 and a molecular weight of 353.74 g/mol. Its IUPAC name is 2-(2-chloro-4-fluoroanilino)-N-(4-methoxy-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluoroanilino)-N-(4-methoxy-2-nitrophenyl)acetamide
PubChem CID9099548
Molecular FormulaC15H13ClFN3O4
Molecular Weight353.74 g/mol
Exact Mass353.06
IUPAC Name2-(2-chloro-4-fluoroanilino)-N-(4-methoxy-2-nitrophenyl)acetamide
SMILESCOc1ccc(NC(=O)CNc2ccc(F)cc2Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C15H13ClFN3O4/c1-24-10-3-5-13(14(7-10)20(22)23)19-15(21)8-18-12-4-2-9(17)6-11(12)16/h2-7,18H,8H2,1H3,(H,19,21)
InChIKeyGPKBDBJZBFQCKS-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

N-(2-chloro-4-fluorophenyl)-2-(2-methoxy-5-nitroanilino)acetamide
CID 9079826
2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 9370182
2-(2-acetylanilino)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 9103856
2-(4-iodoanilino)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 4806528
2-(4-fluorophenyl)sulfonyl-N-(4-methoxy-2-nitrophenyl)acetamide
CID 7544866
2-(5-acetamido-2-methoxyanilino)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 42068751
N-[2-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]amino]phenyl]benzamide
CID 31983699
N-(2-chloro-4-fluorophenyl)-2-(4-chloro-3-nitroanilino)acetamide
CID 26438778
N-(4-methoxy-2-nitrophenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78915263
2-[4-acetamido-2-(trifluoromethyl)anilino]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 37175471
2-(2-chloro-4-fluoroanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 26437643
N-(4-methoxy-2-nitrophenyl)-2-(2-phenylsulfanylanilino)acetamide
CID 24583260

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluoroanilino)-N-(4-methoxy-2-nitrophenyl)acetamide?
The IUPAC name of 2-(2-chloro-4-fluoroanilino)-N-(4-methoxy-2-nitrophenyl)acetamide (CID 9099548) is 2-(2-chloro-4-fluoroanilino)-N-(4-methoxy-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-fluoroanilino)-N-(4-methoxy-2-nitrophenyl)acetamide?
The canonical SMILES for 2-(2-chloro-4-fluoroanilino)-N-(4-methoxy-2-nitrophenyl)acetamide is COc1ccc(NC(=O)CNc2ccc(F)cc2Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(2-chloro-4-fluoroanilino)-N-(4-methoxy-2-nitrophenyl)acetamide?
The InChIKey is GPKBDBJZBFQCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3O4/c1-24-10-3-5-13(14(7-10)20(22)23)19-15(21)8-18-12-4-2-9(17)6-11(12)16/h2-7,18H,8H2,1H3,(H,19,21).
What are the key properties of 2-(2-chloro-4-fluoroanilino)-N-(4-methoxy-2-nitrophenyl)acetamide?
2-(2-chloro-4-fluoroanilino)-N-(4-methoxy-2-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-(2-chloro-4-fluoroanilino)-N-(4-methoxy-2-nitrophenyl)acetamide is sourced from PubChem (CID 9099548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).