N-(2-ethoxyethyl)-N-ethyl-2-fluoro-3-methyl-5-nitrobenzamide

C14H19FN2O4 — CID 103297375

IUPACN-(2-ethoxyethyl)-N-ethyl-2-fluoro-3-methyl-5-nitrobenzamide
SMILESCCOCCN(CC)C(=O)c1cc([N+](=O)[O-])cc(C)c1F
InChIInChI=1S/C14H19FN2O4/c1-4-16(6-7-21-5-2)14(18)12-9-11(17(19)20)8-10(3)13(12)15/h8-9H,4-7H2,1-3H3
InChIKeyYGWJLSYWFJTHNO-UHFFFAOYSA-N
MW298.31 g/mol
LogP2.54
Rot. Bonds7

About N-(2-ethoxyethyl)-N-ethyl-2-fluoro-3-methyl-5-nitrobenzamide

N-(2-ethoxyethyl)-N-ethyl-2-fluoro-3-methyl-5-nitrobenzamide (PubChem CID 103297375) has the molecular formula C14H19FN2O4 and a molecular weight of 298.31 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N-ethyl-2-fluoro-3-methyl-5-nitrobenzamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-N-ethyl-2-fluoro-3-methyl-5-nitrobenzamide
PubChem CID103297375
Molecular FormulaC14H19FN2O4
Molecular Weight298.31 g/mol
Exact Mass298.13
IUPAC NameN-(2-ethoxyethyl)-N-ethyl-2-fluoro-3-methyl-5-nitrobenzamide
SMILESCCOCCN(CC)C(=O)c1cc([N+](=O)[O-])cc(C)c1F
InChIInChI=1S/C14H19FN2O4/c1-4-16(6-7-21-5-2)14(18)12-9-11(17(19)20)8-10(3)13(12)15/h8-9H,4-7H2,1-3H3
InChIKeyYGWJLSYWFJTHNO-UHFFFAOYSA-N
XLogP2.54
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 52.54
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)-2-fluoro-N,3-dimethyl-5-nitrobenzamide
CID 103297483
N-ethyl-2-fluoro-N,3-dimethyl-5-nitrobenzamide
CID 103297115
2-fluoro-N,N,3-trimethyl-5-nitrobenzamide
CID 103297077
2-fluoro-N-(2-hydroxyethyl)-3-methyl-5-nitro-N-prop-2-enylbenzamide
CID 103297585
N-(2-ethoxyethyl)-N-ethyl-5-nitropyridine-3-carboxamide
CID 21405335
3-[(2-fluoro-3-methyl-5-nitrobenzoyl)-methylamino]propanoic acid
CID 103296970
N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-methylbenzamide
CID 79796351
2-fluoro-N,3-dimethyl-N-(2-methylpropyl)-5-nitrobenzamide
CID 103297123
2-amino-N-(2-ethoxyethyl)-N-ethyl-5-fluorobenzamide
CID 63698396
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

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-N-ethyl-2-fluoro-3-methyl-5-nitrobenzamide?
The IUPAC name of N-(2-ethoxyethyl)-N-ethyl-2-fluoro-3-methyl-5-nitrobenzamide (CID 103297375) is N-(2-ethoxyethyl)-N-ethyl-2-fluoro-3-methyl-5-nitrobenzamide.
What is the SMILES notation for N-(2-ethoxyethyl)-N-ethyl-2-fluoro-3-methyl-5-nitrobenzamide?
The canonical SMILES for N-(2-ethoxyethyl)-N-ethyl-2-fluoro-3-methyl-5-nitrobenzamide is CCOCCN(CC)C(=O)c1cc([N+](=O)[O-])cc(C)c1F.
What is the InChIKey of N-(2-ethoxyethyl)-N-ethyl-2-fluoro-3-methyl-5-nitrobenzamide?
The InChIKey is YGWJLSYWFJTHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O4/c1-4-16(6-7-21-5-2)14(18)12-9-11(17(19)20)8-10(3)13(12)15/h8-9H,4-7H2,1-3H3.
What are the key properties of N-(2-ethoxyethyl)-N-ethyl-2-fluoro-3-methyl-5-nitrobenzamide?
N-(2-ethoxyethyl)-N-ethyl-2-fluoro-3-methyl-5-nitrobenzamide has a molecular weight of 298.31 g/mol, XLogP of 2.54, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-N-ethyl-2-fluoro-3-methyl-5-nitrobenzamide is sourced from PubChem (CID 103297375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).