N-[(3-fluoro-4-methylphenyl)methyl]-2-(4-nitrophenoxy)acetamide

C16H15FN2O4 — CID 41161682

IUPACN-[(3-fluoro-4-methylphenyl)methyl]-2-(4-nitrophenoxy)acetamide
SMILESCc1ccc(CNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1F
InChIInChI=1S/C16H15FN2O4/c1-11-2-3-12(8-15(11)17)9-18-16(20)10-23-14-6-4-13(5-7-14)19(21)22/h2-8H,9-10H2,1H3,(H,18,20)
InChIKeyVBMHLHUKVYWEHT-UHFFFAOYSA-N
MW318.30 g/mol
LogP2.74
Rot. Bonds6

About N-[(3-fluoro-4-methylphenyl)methyl]-2-(4-nitrophenoxy)acetamide

N-[(3-fluoro-4-methylphenyl)methyl]-2-(4-nitrophenoxy)acetamide (PubChem CID 41161682) has the molecular formula C16H15FN2O4 and a molecular weight of 318.30 g/mol. Its IUPAC name is N-[(3-fluoro-4-methylphenyl)methyl]-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylphenyl)methyl]-2-(4-nitrophenoxy)acetamide
PubChem CID41161682
Molecular FormulaC16H15FN2O4
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC NameN-[(3-fluoro-4-methylphenyl)methyl]-2-(4-nitrophenoxy)acetamide
SMILESCc1ccc(CNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1F
InChIInChI=1S/C16H15FN2O4/c1-11-2-3-12(8-15(11)17)9-18-16(20)10-23-14-6-4-13(5-7-14)19(21)22/h2-8H,9-10H2,1H3,(H,18,20)
InChIKeyVBMHLHUKVYWEHT-UHFFFAOYSA-N
XLogP2.74
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(3-fluoro-4-methylphenyl)methyl]-2-(2-methoxy-4-nitrophenoxy)acetamide
CID 60619500
N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-fluorophenoxy)acetamide
CID 34315448
N-(2-acetamidoethyl)-2-(4-nitrophenoxy)acetamide
CID 41161661
N-[2-(4-nitrophenyl)ethyl]-2-phenoxyacetamide
CID 19166772
N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-(4-methylphenoxy)acetamide
CID 71156789
N-(3-hydroxypentyl)-2-(4-nitrophenoxy)acetamide
CID 115703818
N-[4-(4-chlorophenoxy)butyl]-2-(4-nitrophenoxy)acetamide
CID 24552477
N-(3-hydroxypropyl)-2-(4-nitrophenoxy)acetamide
CID 43391408
N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-propoxyphenoxy)acetamide
CID 24553271
2-(dimethylamino)-N-[(3-fluoro-4-methylphenyl)methyl]-5-nitrobenzamide
CID 34487244
2-methyl-3-[[2-(4-nitrophenoxy)acetyl]amino]propanoic acid
CID 62675493
N-(4-methyl-3-nitrophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632419

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-2-(4-nitrophenoxy)acetamide (CID 41161682) is N-[(3-fluoro-4-methylphenyl)methyl]-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-[(3-fluoro-4-methylphenyl)methyl]-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-[(3-fluoro-4-methylphenyl)methyl]-2-(4-nitrophenoxy)acetamide is Cc1ccc(CNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methylphenyl)methyl]-2-(4-nitrophenoxy)acetamide?
The InChIKey is VBMHLHUKVYWEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O4/c1-11-2-3-12(8-15(11)17)9-18-16(20)10-23-14-6-4-13(5-7-14)19(21)22/h2-8H,9-10H2,1H3,(H,18,20).
What are the key properties of N-[(3-fluoro-4-methylphenyl)methyl]-2-(4-nitrophenoxy)acetamide?
N-[(3-fluoro-4-methylphenyl)methyl]-2-(4-nitrophenoxy)acetamide has a molecular weight of 318.30 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methylphenyl)methyl]-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 41161682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).