N-(4-fluorophenyl)-2-[methyl-[2-(4-methyl-2-nitrophenoxy)acetyl]amino]acetamide

C18H18FN3O5 — CID 8563037

IUPACN-(4-fluorophenyl)-2-[methyl-[2-(4-methyl-2-nitrophenoxy)acetyl]amino]acetamide
SMILESCc1ccc(OCC(=O)N(C)CC(=O)Nc2ccc(F)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C18H18FN3O5/c1-12-3-8-16(15(9-12)22(25)26)27-11-18(24)21(2)10-17(23)20-14-6-4-13(19)5-7-14/h3-9H,10-11H2,1-2H3,(H,20,23)
InChIKeyOWLXKANZEDCTAG-UHFFFAOYSA-N
MW375.36 g/mol
LogP2.52
Rot. Bonds7

About N-(4-fluorophenyl)-2-[methyl-[2-(4-methyl-2-nitrophenoxy)acetyl]amino]acetamide

N-(4-fluorophenyl)-2-[methyl-[2-(4-methyl-2-nitrophenoxy)acetyl]amino]acetamide (PubChem CID 8563037) has the molecular formula C18H18FN3O5 and a molecular weight of 375.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[methyl-[2-(4-methyl-2-nitrophenoxy)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[methyl-[2-(4-methyl-2-nitrophenoxy)acetyl]amino]acetamide
PubChem CID8563037
Molecular FormulaC18H18FN3O5
Molecular Weight375.36 g/mol
Exact Mass375.12
IUPAC NameN-(4-fluorophenyl)-2-[methyl-[2-(4-methyl-2-nitrophenoxy)acetyl]amino]acetamide
SMILESCc1ccc(OCC(=O)N(C)CC(=O)Nc2ccc(F)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C18H18FN3O5/c1-12-3-8-16(15(9-12)22(25)26)27-11-18(24)21(2)10-17(23)20-14-6-4-13(19)5-7-14/h3-9H,10-11H2,1-2H3,(H,20,23)
InChIKeyOWLXKANZEDCTAG-UHFFFAOYSA-N
XLogP2.52
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.36
LogP ≤ 52.52
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-(4-fluorophenyl)-2-[methyl-[2-(4-methyl-2-nitrophenoxy)acetyl]amino]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[methyl-[2-(4-methyl-2-nitrophenoxy)acetyl]amino]acetamide (CID 8563037) is N-(4-fluorophenyl)-2-[methyl-[2-(4-methyl-2-nitrophenoxy)acetyl]amino]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[methyl-[2-(4-methyl-2-nitrophenoxy)acetyl]amino]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[methyl-[2-(4-methyl-2-nitrophenoxy)acetyl]amino]acetamide is Cc1ccc(OCC(=O)N(C)CC(=O)Nc2ccc(F)cc2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-fluorophenyl)-2-[methyl-[2-(4-methyl-2-nitrophenoxy)acetyl]amino]acetamide?
The InChIKey is OWLXKANZEDCTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O5/c1-12-3-8-16(15(9-12)22(25)26)27-11-18(24)21(2)10-17(23)20-14-6-4-13(19)5-7-14/h3-9H,10-11H2,1-2H3,(H,20,23).
What are the key properties of N-(4-fluorophenyl)-2-[methyl-[2-(4-methyl-2-nitrophenoxy)acetyl]amino]acetamide?
N-(4-fluorophenyl)-2-[methyl-[2-(4-methyl-2-nitrophenoxy)acetyl]amino]acetamide has a molecular weight of 375.36 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[methyl-[2-(4-methyl-2-nitrophenoxy)acetyl]amino]acetamide is sourced from PubChem (CID 8563037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).