2-fluoro-3-methyl-5-nitro-N-[1-(oxolan-3-yl)ethyl]benzamide

C14H17FN2O4 — CID 103297619

IUPAC2-fluoro-3-methyl-5-nitro-N-[1-(oxolan-3-yl)ethyl]benzamide
SMILESCc1cc([N+](=O)[O-])cc(C(=O)NC(C)C2CCOC2)c1F
InChIInChI=1S/C14H17FN2O4/c1-8-5-11(17(19)20)6-12(13(8)15)14(18)16-9(2)10-3-4-21-7-10/h5-6,9-10H,3-4,7H2,1-2H3,(H,16,18)
InChIKeyZIIXUWWWDXYRIY-UHFFFAOYSA-N
MW296.30 g/mol
LogP2.20
Rot. Bonds4

About 2-fluoro-3-methyl-5-nitro-N-[1-(oxolan-3-yl)ethyl]benzamide

2-fluoro-3-methyl-5-nitro-N-[1-(oxolan-3-yl)ethyl]benzamide (PubChem CID 103297619) has the molecular formula C14H17FN2O4 and a molecular weight of 296.30 g/mol. Its IUPAC name is 2-fluoro-3-methyl-5-nitro-N-[1-(oxolan-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-3-methyl-5-nitro-N-[1-(oxolan-3-yl)ethyl]benzamide
PubChem CID103297619
Molecular FormulaC14H17FN2O4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name2-fluoro-3-methyl-5-nitro-N-[1-(oxolan-3-yl)ethyl]benzamide
SMILESCc1cc([N+](=O)[O-])cc(C(=O)NC(C)C2CCOC2)c1F
InChIInChI=1S/C14H17FN2O4/c1-8-5-11(17(19)20)6-12(13(8)15)14(18)16-9(2)10-3-4-21-7-10/h5-6,9-10H,3-4,7H2,1-2H3,(H,16,18)
InChIKeyZIIXUWWWDXYRIY-UHFFFAOYSA-N
XLogP2.20
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-3-methyl-5-nitro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 103297145
2,3-dichloro-5-nitro-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 107189551
5-fluoro-2-nitro-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 115648956
2-cyclopropyl-2-[(2-fluoro-3-methyl-5-nitrobenzoyl)amino]acetic acid
CID 103296985
N-(1-cyclopropylbutan-2-yl)-2-fluoro-3-methyl-5-nitrobenzamide
CID 103297389
4-amino-3-nitro-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 115649252
5-chloro-2-fluoro-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 113241572
N-(2-cyclopropyl-2-hydroxyethyl)-2-fluoro-3-methyl-5-nitrobenzamide
CID 103297364
3-hydroxy-4-nitro-N-[(1S)-1-[(3S)-oxolan-3-yl]ethyl]benzamide
CID 99774885
2-fluoro-3-methyl-N-(4-methylcyclohexyl)-5-nitrobenzamide
CID 103297073
2-fluoro-N-[(2S)-1-hydroxybutan-2-yl]-3-methyl-5-nitrobenzamide
CID 103297678
(2S)-2-[(2-fluoro-3-methyl-5-nitrobenzoyl)amino]-3-hydroxypropanoic acid
CID 103296976

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-5-nitro-N-[1-(oxolan-3-yl)ethyl]benzamide?
The IUPAC name of 2-fluoro-3-methyl-5-nitro-N-[1-(oxolan-3-yl)ethyl]benzamide (CID 103297619) is 2-fluoro-3-methyl-5-nitro-N-[1-(oxolan-3-yl)ethyl]benzamide.
What is the SMILES notation for 2-fluoro-3-methyl-5-nitro-N-[1-(oxolan-3-yl)ethyl]benzamide?
The canonical SMILES for 2-fluoro-3-methyl-5-nitro-N-[1-(oxolan-3-yl)ethyl]benzamide is Cc1cc([N+](=O)[O-])cc(C(=O)NC(C)C2CCOC2)c1F.
What is the InChIKey of 2-fluoro-3-methyl-5-nitro-N-[1-(oxolan-3-yl)ethyl]benzamide?
The InChIKey is ZIIXUWWWDXYRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O4/c1-8-5-11(17(19)20)6-12(13(8)15)14(18)16-9(2)10-3-4-21-7-10/h5-6,9-10H,3-4,7H2,1-2H3,(H,16,18).
What are the key properties of 2-fluoro-3-methyl-5-nitro-N-[1-(oxolan-3-yl)ethyl]benzamide?
2-fluoro-3-methyl-5-nitro-N-[1-(oxolan-3-yl)ethyl]benzamide has a molecular weight of 296.30 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-5-nitro-N-[1-(oxolan-3-yl)ethyl]benzamide is sourced from PubChem (CID 103297619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).