2,6-difluoro-3-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide

C14H16F2N2O3 — CID 103742620

IUPAC2,6-difluoro-3-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
SMILESCC(C)C1(CNC(=O)c2c(F)ccc([N+](=O)[O-])c2F)CC1
InChIInChI=1S/C14H16F2N2O3/c1-8(2)14(5-6-14)7-17-13(19)11-9(15)3-4-10(12(11)16)18(20)21/h3-4,8H,5-7H2,1-2H3,(H,17,19)
InChIKeyIPSFZHWEPLBXJQ-UHFFFAOYSA-N
MW298.29 g/mol
LogP3.04
Rot. Bonds5

About 2,6-difluoro-3-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide

2,6-difluoro-3-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide (PubChem CID 103742620) has the molecular formula C14H16F2N2O3 and a molecular weight of 298.29 g/mol. Its IUPAC name is 2,6-difluoro-3-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-3-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
PubChem CID103742620
Molecular FormulaC14H16F2N2O3
Molecular Weight298.29 g/mol
Exact Mass298.11
IUPAC Name2,6-difluoro-3-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
SMILESCC(C)C1(CNC(=O)c2c(F)ccc([N+](=O)[O-])c2F)CC1
InChIInChI=1S/C14H16F2N2O3/c1-8(2)14(5-6-14)7-17-13(19)11-9(15)3-4-10(12(11)16)18(20)21/h3-4,8H,5-7H2,1-2H3,(H,17,19)
InChIKeyIPSFZHWEPLBXJQ-UHFFFAOYSA-N
XLogP3.04
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 53.04
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

5-fluoro-2-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
CID 103742455
2,6-difluoro-3-nitro-N-[(1-propylcyclopropyl)methyl]benzamide
CID 103762271
N-[(1-ethylcyclobutyl)methyl]-2,6-difluoro-3-nitrobenzamide
CID 103741643
2,6-difluoro-N-[(1-methylsulfanylcyclobutyl)methyl]-3-nitrobenzamide
CID 107299298
2,6-difluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-nitrobenzamide
CID 114751387
N-[(1-cyclopropylcyclopropyl)methyl]-2,6-difluoro-3-nitrobenzamide
CID 103839394
3-[(2,6-difluoro-3-nitrobenzoyl)amino]-2-methylpropanoic acid
CID 79773538
2,6-difluoro-3-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 103740568
2,6-difluoro-3-nitro-N-(2-propan-2-yloxyethyl)benzamide
CID 104582048
2,6-difluoro-N-[(2-methylcyclopropyl)methyl]-3-nitrobenzamide
CID 103740035
2-bromo-3-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
CID 106547537
2,6-difluoro-N-[2-(methylamino)-2-oxoethyl]-3-nitrobenzamide
CID 113252599

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide?
The IUPAC name of 2,6-difluoro-3-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide (CID 103742620) is 2,6-difluoro-3-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide.
What is the SMILES notation for 2,6-difluoro-3-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide?
The canonical SMILES for 2,6-difluoro-3-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide is CC(C)C1(CNC(=O)c2c(F)ccc([N+](=O)[O-])c2F)CC1.
What is the InChIKey of 2,6-difluoro-3-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide?
The InChIKey is IPSFZHWEPLBXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O3/c1-8(2)14(5-6-14)7-17-13(19)11-9(15)3-4-10(12(11)16)18(20)21/h3-4,8H,5-7H2,1-2H3,(H,17,19).
What are the key properties of 2,6-difluoro-3-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide?
2,6-difluoro-3-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide has a molecular weight of 298.29 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide is sourced from PubChem (CID 103742620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).