2,6-difluoro-N-methyl-3-nitro-N-propylbenzamide

C11H12F2N2O3 — CID 113252560

IUPAC2,6-difluoro-N-methyl-3-nitro-N-propylbenzamide
SMILESCCCN(C)C(=O)c1c(F)ccc([N+](=O)[O-])c1F
InChIInChI=1S/C11H12F2N2O3/c1-3-6-14(2)11(16)9-7(12)4-5-8(10(9)13)15(17)18/h4-5H,3,6H2,1-2H3
InChIKeyCZNGRBDYMZAHQD-UHFFFAOYSA-N
MW258.22 g/mol
LogP2.36
Rot. Bonds4

About 2,6-difluoro-N-methyl-3-nitro-N-propylbenzamide

2,6-difluoro-N-methyl-3-nitro-N-propylbenzamide (PubChem CID 113252560) has the molecular formula C11H12F2N2O3 and a molecular weight of 258.22 g/mol. Its IUPAC name is 2,6-difluoro-N-methyl-3-nitro-N-propylbenzamide.

Molecular Properties

Compound Name2,6-difluoro-N-methyl-3-nitro-N-propylbenzamide
PubChem CID113252560
Molecular FormulaC11H12F2N2O3
Molecular Weight258.22 g/mol
Exact Mass258.08
IUPAC Name2,6-difluoro-N-methyl-3-nitro-N-propylbenzamide
SMILESCCCN(C)C(=O)c1c(F)ccc([N+](=O)[O-])c1F
InChIInChI=1S/C11H12F2N2O3/c1-3-6-14(2)11(16)9-7(12)4-5-8(10(9)13)15(17)18/h4-5H,3,6H2,1-2H3
InChIKeyCZNGRBDYMZAHQD-UHFFFAOYSA-N
XLogP2.36
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.22
LogP ≤ 52.36
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

2,6-difluoro-N-(2-hydroxyethyl)-N-methyl-3-nitrobenzamide
CID 79773192
N-ethyl-2,6-difluoro-3-nitro-N-propylbenzamide
CID 113252601
N-(3-bromopropyl)-2,6-difluoro-N-methyl-3-nitrobenzamide
CID 106441102
2,6-difluoro-N-methyl-3-nitro-N-prop-2-enylbenzamide
CID 104956238
N-butyl-N-ethyl-2,6-difluoro-3-nitrobenzamide
CID 103740005
N-(1-chloropropan-2-yl)-2,6-difluoro-N-methyl-3-nitrobenzamide
CID 113426443
5-chloro-N-methyl-2-nitro-N-propylbenzamide
CID 43271301
N-cyclopentyl-N-ethyl-2,6-difluoro-3-nitrobenzamide
CID 107121802
N-ethyl-2,6-difluoro-3-nitro-N-prop-2-enylbenzamide
CID 103740637
2-amino-6-fluoro-3-nitro-N-propan-2-yl-N-propylbenzamide
CID 107122932
2,6-difluoro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-3-nitrobenzamide
CID 79758984
2,6-difluoro-3-nitro-N-[(1-propylcyclopropyl)methyl]benzamide
CID 103762271

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-methyl-3-nitro-N-propylbenzamide?
The IUPAC name of 2,6-difluoro-N-methyl-3-nitro-N-propylbenzamide (CID 113252560) is 2,6-difluoro-N-methyl-3-nitro-N-propylbenzamide.
What is the SMILES notation for 2,6-difluoro-N-methyl-3-nitro-N-propylbenzamide?
The canonical SMILES for 2,6-difluoro-N-methyl-3-nitro-N-propylbenzamide is CCCN(C)C(=O)c1c(F)ccc([N+](=O)[O-])c1F.
What is the InChIKey of 2,6-difluoro-N-methyl-3-nitro-N-propylbenzamide?
The InChIKey is CZNGRBDYMZAHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O3/c1-3-6-14(2)11(16)9-7(12)4-5-8(10(9)13)15(17)18/h4-5H,3,6H2,1-2H3.
What are the key properties of 2,6-difluoro-N-methyl-3-nitro-N-propylbenzamide?
2,6-difluoro-N-methyl-3-nitro-N-propylbenzamide has a molecular weight of 258.22 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-methyl-3-nitro-N-propylbenzamide is sourced from PubChem (CID 113252560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).