2-fluoro-N,N,3-trimethyl-5-nitrobenzamide

C10H11FN2O3 — CID 103297077

IUPAC2-fluoro-N,N,3-trimethyl-5-nitrobenzamide
SMILESCc1cc([N+](=O)[O-])cc(C(=O)N(C)C)c1F
InChIInChI=1S/C10H11FN2O3/c1-6-4-7(13(15)16)5-8(9(6)11)10(14)12(2)3/h4-5H,1-3H3
InChIKeyOKZQQWKGXRWJHY-UHFFFAOYSA-N
MW226.21 g/mol
LogP1.74
Rot. Bonds2

About 2-fluoro-N,N,3-trimethyl-5-nitrobenzamide

2-fluoro-N,N,3-trimethyl-5-nitrobenzamide (PubChem CID 103297077) has the molecular formula C10H11FN2O3 and a molecular weight of 226.21 g/mol. Its IUPAC name is 2-fluoro-N,N,3-trimethyl-5-nitrobenzamide.

Molecular Properties

Compound Name2-fluoro-N,N,3-trimethyl-5-nitrobenzamide
PubChem CID103297077
Molecular FormulaC10H11FN2O3
Molecular Weight226.21 g/mol
Exact Mass226.08
IUPAC Name2-fluoro-N,N,3-trimethyl-5-nitrobenzamide
SMILESCc1cc([N+](=O)[O-])cc(C(=O)N(C)C)c1F
InChIInChI=1S/C10H11FN2O3/c1-6-4-7(13(15)16)5-8(9(6)11)10(14)12(2)3/h4-5H,1-3H3
InChIKeyOKZQQWKGXRWJHY-UHFFFAOYSA-N
XLogP1.74
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 51.74
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

N-ethyl-2-fluoro-N,3-dimethyl-5-nitrobenzamide
CID 103297115
2-fluoro-N,3-dimethyl-N-(2-methylpropyl)-5-nitrobenzamide
CID 103297123
1-(2-fluoro-3-methyl-5-nitrophenyl)ethanone
CID 131091224
2-fluoro-3-methyl-5-nitrobenzoic acid
CID 80701808
3-[(2-fluoro-3-methyl-5-nitrobenzoyl)-methylamino]propanoic acid
CID 103296970
N-(2-ethoxyethyl)-2-fluoro-N,3-dimethyl-5-nitrobenzamide
CID 103297483
2-[cyclopropyl-(2-fluoro-3-methyl-5-nitrobenzoyl)amino]acetic acid
CID 103296969
2-fluoro-N,3-dimethyl-5-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 103297391
2-fluoro-N-(2-hydroxyethyl)-3-methyl-5-nitro-N-prop-2-enylbenzamide
CID 103297585
N-(2-ethoxyethyl)-N-ethyl-2-fluoro-3-methyl-5-nitrobenzamide
CID 103297375
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 2-fluoro-N,N,3-trimethyl-5-nitrobenzamide?
The IUPAC name of 2-fluoro-N,N,3-trimethyl-5-nitrobenzamide (CID 103297077) is 2-fluoro-N,N,3-trimethyl-5-nitrobenzamide.
What is the SMILES notation for 2-fluoro-N,N,3-trimethyl-5-nitrobenzamide?
The canonical SMILES for 2-fluoro-N,N,3-trimethyl-5-nitrobenzamide is Cc1cc([N+](=O)[O-])cc(C(=O)N(C)C)c1F.
What is the InChIKey of 2-fluoro-N,N,3-trimethyl-5-nitrobenzamide?
The InChIKey is OKZQQWKGXRWJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O3/c1-6-4-7(13(15)16)5-8(9(6)11)10(14)12(2)3/h4-5H,1-3H3.
What are the key properties of 2-fluoro-N,N,3-trimethyl-5-nitrobenzamide?
2-fluoro-N,N,3-trimethyl-5-nitrobenzamide has a molecular weight of 226.21 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,N,3-trimethyl-5-nitrobenzamide is sourced from PubChem (CID 103297077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).