N-ethyl-2-fluoro-N,3-dimethyl-5-nitrobenzamide

C11H13FN2O3 — CID 103297115

IUPACN-ethyl-2-fluoro-N,3-dimethyl-5-nitrobenzamide
SMILESCCN(C)C(=O)c1cc([N+](=O)[O-])cc(C)c1F
InChIInChI=1S/C11H13FN2O3/c1-4-13(3)11(15)9-6-8(14(16)17)5-7(2)10(9)12/h5-6H,4H2,1-3H3
InChIKeyVZOPDGNTMDSBOY-UHFFFAOYSA-N
MW240.23 g/mol
LogP2.13
Rot. Bonds3

About N-ethyl-2-fluoro-N,3-dimethyl-5-nitrobenzamide

N-ethyl-2-fluoro-N,3-dimethyl-5-nitrobenzamide (PubChem CID 103297115) has the molecular formula C11H13FN2O3 and a molecular weight of 240.23 g/mol. Its IUPAC name is N-ethyl-2-fluoro-N,3-dimethyl-5-nitrobenzamide.

Molecular Properties

Compound NameN-ethyl-2-fluoro-N,3-dimethyl-5-nitrobenzamide
PubChem CID103297115
Molecular FormulaC11H13FN2O3
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC NameN-ethyl-2-fluoro-N,3-dimethyl-5-nitrobenzamide
SMILESCCN(C)C(=O)c1cc([N+](=O)[O-])cc(C)c1F
InChIInChI=1S/C11H13FN2O3/c1-4-13(3)11(15)9-6-8(14(16)17)5-7(2)10(9)12/h5-6H,4H2,1-3H3
InChIKeyVZOPDGNTMDSBOY-UHFFFAOYSA-N
XLogP2.13
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-fluoro-N,N,3-trimethyl-5-nitrobenzamide
CID 103297077
2-fluoro-N,3-dimethyl-N-(2-methylpropyl)-5-nitrobenzamide
CID 103297123
3-[(2-fluoro-3-methyl-5-nitrobenzoyl)-methylamino]propanoic acid
CID 103296970
N-(2-ethoxyethyl)-2-fluoro-N,3-dimethyl-5-nitrobenzamide
CID 103297483
N-(2-ethoxyethyl)-N-ethyl-2-fluoro-3-methyl-5-nitrobenzamide
CID 103297375
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-[cyclopropyl-(2-fluoro-3-methyl-5-nitrobenzoyl)amino]acetic acid
CID 103296969
2-chloro-N-ethyl-N-methyl-5-nitrobenzamide
CID 43243488
N-(2-aminoethyl)-2-fluoro-3-methyl-5-nitrobenzamide
CID 103297273
2-fluoro-3-methyl-5-nitro-N-prop-2-ynylbenzamide
CID 103297090

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-fluoro-N,3-dimethyl-5-nitrobenzamide?
The IUPAC name of N-ethyl-2-fluoro-N,3-dimethyl-5-nitrobenzamide (CID 103297115) is N-ethyl-2-fluoro-N,3-dimethyl-5-nitrobenzamide.
What is the SMILES notation for N-ethyl-2-fluoro-N,3-dimethyl-5-nitrobenzamide?
The canonical SMILES for N-ethyl-2-fluoro-N,3-dimethyl-5-nitrobenzamide is CCN(C)C(=O)c1cc([N+](=O)[O-])cc(C)c1F.
What is the InChIKey of N-ethyl-2-fluoro-N,3-dimethyl-5-nitrobenzamide?
The InChIKey is VZOPDGNTMDSBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3/c1-4-13(3)11(15)9-6-8(14(16)17)5-7(2)10(9)12/h5-6H,4H2,1-3H3.
What are the key properties of N-ethyl-2-fluoro-N,3-dimethyl-5-nitrobenzamide?
N-ethyl-2-fluoro-N,3-dimethyl-5-nitrobenzamide has a molecular weight of 240.23 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-fluoro-N,3-dimethyl-5-nitrobenzamide is sourced from PubChem (CID 103297115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).