N-[(4-ethylphenyl)methyl]-2-(5-fluoro-2-nitrophenoxy)-N-methylacetamide

C18H19FN2O4 — CID 60608890

IUPACN-[(4-ethylphenyl)methyl]-2-(5-fluoro-2-nitrophenoxy)-N-methylacetamide
SMILESCCc1ccc(CN(C)C(=O)COc2cc(F)ccc2[N+](=O)[O-])cc1
InChIInChI=1S/C18H19FN2O4/c1-3-13-4-6-14(7-5-13)11-20(2)18(22)12-25-17-10-15(19)8-9-16(17)21(23)24/h4-10H,3,11-12H2,1-2H3
InChIKeyATCODYZSGUASNT-UHFFFAOYSA-N
MW346.36 g/mol
LogP3.33
Rot. Bonds7

About N-[(4-ethylphenyl)methyl]-2-(5-fluoro-2-nitrophenoxy)-N-methylacetamide

N-[(4-ethylphenyl)methyl]-2-(5-fluoro-2-nitrophenoxy)-N-methylacetamide (PubChem CID 60608890) has the molecular formula C18H19FN2O4 and a molecular weight of 346.36 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-2-(5-fluoro-2-nitrophenoxy)-N-methylacetamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-2-(5-fluoro-2-nitrophenoxy)-N-methylacetamide
PubChem CID60608890
Molecular FormulaC18H19FN2O4
Molecular Weight346.36 g/mol
Exact Mass346.13
IUPAC NameN-[(4-ethylphenyl)methyl]-2-(5-fluoro-2-nitrophenoxy)-N-methylacetamide
SMILESCCc1ccc(CN(C)C(=O)COc2cc(F)ccc2[N+](=O)[O-])cc1
InChIInChI=1S/C18H19FN2O4/c1-3-13-4-6-14(7-5-13)11-20(2)18(22)12-25-17-10-15(19)8-9-16(17)21(23)24/h4-10H,3,11-12H2,1-2H3
InChIKeyATCODYZSGUASNT-UHFFFAOYSA-N
XLogP3.33
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 53.33
H-Bond Donors ≤ 50
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

2-(5-fluoro-2-nitrophenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 8873483
2-(5-fluoro-2-nitrophenoxy)-N-methyl-N-propan-2-ylacetamide
CID 78911810
2-(5-fluoro-2-nitrophenoxy)-N-methyl-N-phenylacetamide
CID 2690888
2-(5-fluoro-2-nitrophenoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 24570004
N-benzyl-2-(3-methoxy-4-nitrophenoxy)-N-methylacetamide
CID 48845505
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(5-fluoro-2-nitrophenoxy)-N-methylacetamide
CID 2638344
N-(2,6-diethylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 2690932
N-methyl-2-(3-methyl-4-nitrophenoxy)-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 8647928
2-(5-fluoro-2-nitrophenoxy)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 87018491
2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 4821509
N,N-diethyl-2-[5-(hydroxymethyl)-2-nitrophenoxy]acetamide
CID 62115032
N-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide
CID 78762371

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-2-(5-fluoro-2-nitrophenoxy)-N-methylacetamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-2-(5-fluoro-2-nitrophenoxy)-N-methylacetamide (CID 60608890) is N-[(4-ethylphenyl)methyl]-2-(5-fluoro-2-nitrophenoxy)-N-methylacetamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-2-(5-fluoro-2-nitrophenoxy)-N-methylacetamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-2-(5-fluoro-2-nitrophenoxy)-N-methylacetamide is CCc1ccc(CN(C)C(=O)COc2cc(F)ccc2[N+](=O)[O-])cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-2-(5-fluoro-2-nitrophenoxy)-N-methylacetamide?
The InChIKey is ATCODYZSGUASNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O4/c1-3-13-4-6-14(7-5-13)11-20(2)18(22)12-25-17-10-15(19)8-9-16(17)21(23)24/h4-10H,3,11-12H2,1-2H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-2-(5-fluoro-2-nitrophenoxy)-N-methylacetamide?
N-[(4-ethylphenyl)methyl]-2-(5-fluoro-2-nitrophenoxy)-N-methylacetamide has a molecular weight of 346.36 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-2-(5-fluoro-2-nitrophenoxy)-N-methylacetamide is sourced from PubChem (CID 60608890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).