N-(2-ethoxyethyl)-2-fluoro-N,3-dimethyl-5-nitrobenzamide

C13H17FN2O4 — CID 103297483

IUPACN-(2-ethoxyethyl)-2-fluoro-N,3-dimethyl-5-nitrobenzamide
SMILESCCOCCN(C)C(=O)c1cc([N+](=O)[O-])cc(C)c1F
InChIInChI=1S/C13H17FN2O4/c1-4-20-6-5-15(3)13(17)11-8-10(16(18)19)7-9(2)12(11)14/h7-8H,4-6H2,1-3H3
InChIKeyDVBCIHQTDNSRFY-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.15
Rot. Bonds6

About N-(2-ethoxyethyl)-2-fluoro-N,3-dimethyl-5-nitrobenzamide

N-(2-ethoxyethyl)-2-fluoro-N,3-dimethyl-5-nitrobenzamide (PubChem CID 103297483) has the molecular formula C13H17FN2O4 and a molecular weight of 284.29 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-2-fluoro-N,3-dimethyl-5-nitrobenzamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-2-fluoro-N,3-dimethyl-5-nitrobenzamide
PubChem CID103297483
Molecular FormulaC13H17FN2O4
Molecular Weight284.29 g/mol
Exact Mass284.12
IUPAC NameN-(2-ethoxyethyl)-2-fluoro-N,3-dimethyl-5-nitrobenzamide
SMILESCCOCCN(C)C(=O)c1cc([N+](=O)[O-])cc(C)c1F
InChIInChI=1S/C13H17FN2O4/c1-4-20-6-5-15(3)13(17)11-8-10(16(18)19)7-9(2)12(11)14/h7-8H,4-6H2,1-3H3
InChIKeyDVBCIHQTDNSRFY-UHFFFAOYSA-N
XLogP2.15
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethoxyethyl)-N-ethyl-2-fluoro-3-methyl-5-nitrobenzamide
CID 103297375
N-ethyl-2-fluoro-N,3-dimethyl-5-nitrobenzamide
CID 103297115
3-[(2-fluoro-3-methyl-5-nitrobenzoyl)-methylamino]propanoic acid
CID 103296970
2-fluoro-N,N,3-trimethyl-5-nitrobenzamide
CID 103297077
2-fluoro-N,3-dimethyl-N-(2-methylpropyl)-5-nitrobenzamide
CID 103297123
2-fluoro-N,3-dimethyl-5-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 103297391
1-(2-fluoro-3-methyl-5-nitrophenyl)ethanone
CID 131091224
2-fluoro-3-methyl-5-nitrobenzoic acid
CID 80701808
2-butoxyethyl 2-fluoro-3-methyl-5-nitrobenzoate
CID 103298260
N-(2-aminoethyl)-2-fluoro-3-methyl-5-nitrobenzamide
CID 103297273
2-fluoro-N-(2-hydroxyethyl)-3-methyl-5-nitro-N-prop-2-enylbenzamide
CID 103297585
2-[cyclopropyl-(2-fluoro-3-methyl-5-nitrobenzoyl)amino]acetic acid
CID 103296969

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-2-fluoro-N,3-dimethyl-5-nitrobenzamide?
The IUPAC name of N-(2-ethoxyethyl)-2-fluoro-N,3-dimethyl-5-nitrobenzamide (CID 103297483) is N-(2-ethoxyethyl)-2-fluoro-N,3-dimethyl-5-nitrobenzamide.
What is the SMILES notation for N-(2-ethoxyethyl)-2-fluoro-N,3-dimethyl-5-nitrobenzamide?
The canonical SMILES for N-(2-ethoxyethyl)-2-fluoro-N,3-dimethyl-5-nitrobenzamide is CCOCCN(C)C(=O)c1cc([N+](=O)[O-])cc(C)c1F.
What is the InChIKey of N-(2-ethoxyethyl)-2-fluoro-N,3-dimethyl-5-nitrobenzamide?
The InChIKey is DVBCIHQTDNSRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O4/c1-4-20-6-5-15(3)13(17)11-8-10(16(18)19)7-9(2)12(11)14/h7-8H,4-6H2,1-3H3.
What are the key properties of N-(2-ethoxyethyl)-2-fluoro-N,3-dimethyl-5-nitrobenzamide?
N-(2-ethoxyethyl)-2-fluoro-N,3-dimethyl-5-nitrobenzamide has a molecular weight of 284.29 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-2-fluoro-N,3-dimethyl-5-nitrobenzamide is sourced from PubChem (CID 103297483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).