2,6-difluoro-N-[(2-methylcyclopropyl)methyl]-3-nitrobenzamide

C12H12F2N2O3 — CID 103740035

IUPAC2,6-difluoro-N-[(2-methylcyclopropyl)methyl]-3-nitrobenzamide
SMILESCC1CC1CNC(=O)c1c(F)ccc([N+](=O)[O-])c1F
InChIInChI=1S/C12H12F2N2O3/c1-6-4-7(6)5-15-12(17)10-8(13)2-3-9(11(10)14)16(18)19/h2-3,6-7H,4-5H2,1H3,(H,15,17)
InChIKeyQYVAKQJLAQQOLN-UHFFFAOYSA-N
MW270.23 g/mol
LogP2.26
Rot. Bonds4

About 2,6-difluoro-N-[(2-methylcyclopropyl)methyl]-3-nitrobenzamide

2,6-difluoro-N-[(2-methylcyclopropyl)methyl]-3-nitrobenzamide (PubChem CID 103740035) has the molecular formula C12H12F2N2O3 and a molecular weight of 270.23 g/mol. Its IUPAC name is 2,6-difluoro-N-[(2-methylcyclopropyl)methyl]-3-nitrobenzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[(2-methylcyclopropyl)methyl]-3-nitrobenzamide
PubChem CID103740035
Molecular FormulaC12H12F2N2O3
Molecular Weight270.23 g/mol
Exact Mass270.08
IUPAC Name2,6-difluoro-N-[(2-methylcyclopropyl)methyl]-3-nitrobenzamide
SMILESCC1CC1CNC(=O)c1c(F)ccc([N+](=O)[O-])c1F
InChIInChI=1S/C12H12F2N2O3/c1-6-4-7(6)5-15-12(17)10-8(13)2-3-9(11(10)14)16(18)19/h2-3,6-7H,4-5H2,1H3,(H,15,17)
InChIKeyQYVAKQJLAQQOLN-UHFFFAOYSA-N
XLogP2.26
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.23
LogP ≤ 52.26
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

N-[(3-chlorocyclopentyl)methyl]-2,6-difluoro-3-nitrobenzamide
CID 106127655
N-(2-aminocyclopropyl)-2,6-difluoro-3-nitrobenzamide
CID 79773195
2,6-difluoro-N-[2-(methylamino)-2-oxoethyl]-3-nitrobenzamide
CID 113252599
2,6-difluoro-3-nitro-N-(oxan-2-ylmethyl)benzamide
CID 103740630
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2,6-difluoro-3-nitrobenzamide
CID 103740040
N-(2-bromoethyl)-2,6-difluoro-3-nitrobenzamide
CID 79772843
3-[(2,6-difluoro-3-nitrobenzoyl)amino]-2-methylpropanoic acid
CID 79773538
N-[2-(carbamoylamino)ethyl]-2,6-difluoro-3-nitrobenzamide
CID 103740689
2,6-difluoro-3-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 103740568
2,6-difluoro-3-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
CID 103742620
N-[(1-cyclopropylcyclopropyl)methyl]-2,6-difluoro-3-nitrobenzamide
CID 103839394
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-[(2-methylcyclopropyl)methyl]-3-nitrobenzamide?
The IUPAC name of 2,6-difluoro-N-[(2-methylcyclopropyl)methyl]-3-nitrobenzamide (CID 103740035) is 2,6-difluoro-N-[(2-methylcyclopropyl)methyl]-3-nitrobenzamide.
What is the SMILES notation for 2,6-difluoro-N-[(2-methylcyclopropyl)methyl]-3-nitrobenzamide?
The canonical SMILES for 2,6-difluoro-N-[(2-methylcyclopropyl)methyl]-3-nitrobenzamide is CC1CC1CNC(=O)c1c(F)ccc([N+](=O)[O-])c1F.
What is the InChIKey of 2,6-difluoro-N-[(2-methylcyclopropyl)methyl]-3-nitrobenzamide?
The InChIKey is QYVAKQJLAQQOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O3/c1-6-4-7(6)5-15-12(17)10-8(13)2-3-9(11(10)14)16(18)19/h2-3,6-7H,4-5H2,1H3,(H,15,17).
What are the key properties of 2,6-difluoro-N-[(2-methylcyclopropyl)methyl]-3-nitrobenzamide?
2,6-difluoro-N-[(2-methylcyclopropyl)methyl]-3-nitrobenzamide has a molecular weight of 270.23 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[(2-methylcyclopropyl)methyl]-3-nitrobenzamide is sourced from PubChem (CID 103740035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).