3-fluoro-4-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide

C15H19FN2O3 — CID 79359617

IUPAC3-fluoro-4-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
SMILESCC1(C)C(CNC(=O)c2ccc([N+](=O)[O-])c(F)c2)C1(C)C
InChIInChI=1S/C15H19FN2O3/c1-14(2)12(15(14,3)4)8-17-13(19)9-5-6-11(18(20)21)10(16)7-9/h5-7,12H,8H2,1-4H3,(H,17,19)
InChIKeyHXMJNALJXNZFJE-UHFFFAOYSA-N
MW294.33 g/mol
LogP3.15
Rot. Bonds4

About 3-fluoro-4-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide

3-fluoro-4-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide (PubChem CID 79359617) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 3-fluoro-4-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
PubChem CID79359617
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name3-fluoro-4-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
SMILESCC1(C)C(CNC(=O)c2ccc([N+](=O)[O-])c(F)c2)C1(C)C
InChIInChI=1S/C15H19FN2O3/c1-14(2)12(15(14,3)4)8-17-13(19)9-5-6-11(18(20)21)10(16)7-9/h5-7,12H,8H2,1-4H3,(H,17,19)
InChIKeyHXMJNALJXNZFJE-UHFFFAOYSA-N
XLogP3.15
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
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

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N-benzyl-3-fluoro-4-nitrobenzamide
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N-(2,3-dihydroxy-2-methylpropyl)-3-fluoro-4-nitrobenzamide
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ethyl 2-[(3-fluoro-4-nitrobenzoyl)amino]acetate
CID 62680737
N-(3-ethylpentan-3-yl)-3-fluoro-4-nitrobenzamide
CID 65038833
3-[(3-fluoro-4-nitrobenzoyl)amino]-2-hydroxypropanoic acid
CID 66167058
N-(2-ethylsulfinylethyl)-3-fluoro-4-nitrobenzamide
CID 115627360
3-fluoro-N-[(3-methylphenyl)methyl]-4-nitrobenzamide
CID 62681809
4-amino-3-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 79362346

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide?
The IUPAC name of 3-fluoro-4-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide (CID 79359617) is 3-fluoro-4-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide.
What is the SMILES notation for 3-fluoro-4-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide?
The canonical SMILES for 3-fluoro-4-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide is CC1(C)C(CNC(=O)c2ccc([N+](=O)[O-])c(F)c2)C1(C)C.
What is the InChIKey of 3-fluoro-4-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide?
The InChIKey is HXMJNALJXNZFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-14(2)12(15(14,3)4)8-17-13(19)9-5-6-11(18(20)21)10(16)7-9/h5-7,12H,8H2,1-4H3,(H,17,19).
What are the key properties of 3-fluoro-4-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide?
3-fluoro-4-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide has a molecular weight of 294.33 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide is sourced from PubChem (CID 79359617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).