N-[(3-amino-4-methoxyphenyl)methyl]-2-(2-fluorophenyl)acetamide

C16H17FN2O2 — CID 60972241

IUPACN-[(3-amino-4-methoxyphenyl)methyl]-2-(2-fluorophenyl)acetamide
SMILESCOc1ccc(CNC(=O)Cc2ccccc2F)cc1N
InChIInChI=1S/C16H17FN2O2/c1-21-15-7-6-11(8-14(15)18)10-19-16(20)9-12-4-2-3-5-13(12)17/h2-8H,9-10,18H2,1H3,(H,19,20)
InChIKeyJAOKVEFSNGHQNA-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.28
Rot. Bonds5

About N-[(3-amino-4-methoxyphenyl)methyl]-2-(2-fluorophenyl)acetamide

N-[(3-amino-4-methoxyphenyl)methyl]-2-(2-fluorophenyl)acetamide (PubChem CID 60972241) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is N-[(3-amino-4-methoxyphenyl)methyl]-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(3-amino-4-methoxyphenyl)methyl]-2-(2-fluorophenyl)acetamide
PubChem CID60972241
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC NameN-[(3-amino-4-methoxyphenyl)methyl]-2-(2-fluorophenyl)acetamide
SMILESCOc1ccc(CNC(=O)Cc2ccccc2F)cc1N
InChIInChI=1S/C16H17FN2O2/c1-21-15-7-6-11(8-14(15)18)10-19-16(20)9-12-4-2-3-5-13(12)17/h2-8H,9-10,18H2,1H3,(H,19,20)
InChIKeyJAOKVEFSNGHQNA-UHFFFAOYSA-N
XLogP2.28
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-N'-[(2-fluorophenyl)methyl]propanediamide
CID 108946228
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2399525
N-[(3-amino-4-methoxyphenyl)methyl]-2-(3-chlorophenyl)acetamide
CID 62503557
N-[(3-amino-4-methoxyphenyl)methyl]-2-methylpropanamide
CID 60972714
2-(2-fluorophenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]acetamide
CID 51317159
N-[(3-amino-4-methoxyphenyl)methyl]-2-hydroxybenzamide
CID 60973203
N-[(3-amino-4-methoxyphenyl)methyl]-2-phenylsulfanylacetamide
CID 79211970
2-(2-fluorophenyl)-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide
CID 113095667
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9269129
N-[(3-amino-4-methoxyphenyl)methyl]-3-chloro-4-fluorobenzamide
CID 82873015
N-[(3-amino-4-methoxyphenyl)methyl]-2-cyclopropylacetamide
CID 55031718
N-[(3-amino-4-methoxyphenyl)methyl]-2,6-dimethylbenzamide
CID 107999896

Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-4-methoxyphenyl)methyl]-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-[(3-amino-4-methoxyphenyl)methyl]-2-(2-fluorophenyl)acetamide (CID 60972241) is N-[(3-amino-4-methoxyphenyl)methyl]-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-[(3-amino-4-methoxyphenyl)methyl]-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-[(3-amino-4-methoxyphenyl)methyl]-2-(2-fluorophenyl)acetamide is COc1ccc(CNC(=O)Cc2ccccc2F)cc1N.
What is the InChIKey of N-[(3-amino-4-methoxyphenyl)methyl]-2-(2-fluorophenyl)acetamide?
The InChIKey is JAOKVEFSNGHQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-21-15-7-6-11(8-14(15)18)10-19-16(20)9-12-4-2-3-5-13(12)17/h2-8H,9-10,18H2,1H3,(H,19,20).
What are the key properties of N-[(3-amino-4-methoxyphenyl)methyl]-2-(2-fluorophenyl)acetamide?
N-[(3-amino-4-methoxyphenyl)methyl]-2-(2-fluorophenyl)acetamide has a molecular weight of 288.32 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-4-methoxyphenyl)methyl]-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 60972241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).