N-[(1-cyclopropylcyclopropyl)methyl]-2,6-difluoro-3-nitrobenzamide

C14H14F2N2O3 — CID 103839394

IUPACN-[(1-cyclopropylcyclopropyl)methyl]-2,6-difluoro-3-nitrobenzamide
SMILESO=C(NCC1(C2CC2)CC1)c1c(F)ccc([N+](=O)[O-])c1F
InChIInChI=1S/C14H14F2N2O3/c15-9-3-4-10(18(20)21)12(16)11(9)13(19)17-7-14(5-6-14)8-1-2-8/h3-4,8H,1-2,5-7H2,(H,17,19)
InChIKeyNRLSCZZNBQQHKI-UHFFFAOYSA-N
MW296.27 g/mol
LogP2.79
Rot. Bonds5

About N-[(1-cyclopropylcyclopropyl)methyl]-2,6-difluoro-3-nitrobenzamide

N-[(1-cyclopropylcyclopropyl)methyl]-2,6-difluoro-3-nitrobenzamide (PubChem CID 103839394) has the molecular formula C14H14F2N2O3 and a molecular weight of 296.27 g/mol. Its IUPAC name is N-[(1-cyclopropylcyclopropyl)methyl]-2,6-difluoro-3-nitrobenzamide.

Molecular Properties

Compound NameN-[(1-cyclopropylcyclopropyl)methyl]-2,6-difluoro-3-nitrobenzamide
PubChem CID103839394
Molecular FormulaC14H14F2N2O3
Molecular Weight296.27 g/mol
Exact Mass296.10
IUPAC NameN-[(1-cyclopropylcyclopropyl)methyl]-2,6-difluoro-3-nitrobenzamide
SMILESO=C(NCC1(C2CC2)CC1)c1c(F)ccc([N+](=O)[O-])c1F
InChIInChI=1S/C14H14F2N2O3/c15-9-3-4-10(18(20)21)12(16)11(9)13(19)17-7-14(5-6-14)8-1-2-8/h3-4,8H,1-2,5-7H2,(H,17,19)
InChIKeyNRLSCZZNBQQHKI-UHFFFAOYSA-N
XLogP2.79
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 52.79
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'}

Analyze N-[(1-cyclopropylcyclopropyl)methyl]-2,6-difluoro-3-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-difluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-nitrobenzamide
CID 114751387
2,6-difluoro-3-nitro-N-[(1-propylcyclopropyl)methyl]benzamide
CID 103762271
N-[(1-cyclopropylcyclopropyl)methyl]-4,5-difluoro-2-nitrobenzamide
CID 103841319
N-[(1-ethylcyclobutyl)methyl]-2,6-difluoro-3-nitrobenzamide
CID 103741643
2,6-difluoro-3-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
CID 103742620
2,6-difluoro-N-[(1-methylsulfanylcyclobutyl)methyl]-3-nitrobenzamide
CID 107299298
2,6-difluoro-N-[(2-methylcyclopropyl)methyl]-3-nitrobenzamide
CID 103740035
2-amino-N-[(1-cyclopropylcyclopropyl)methyl]-3-nitrobenzamide
CID 103839379
N-(2-bromoethyl)-2,6-difluoro-3-nitrobenzamide
CID 79772843
N-[(3-chlorocyclopentyl)methyl]-2,6-difluoro-3-nitrobenzamide
CID 106127655
N-[2-(carbamoylamino)ethyl]-2,6-difluoro-3-nitrobenzamide
CID 103740689
2,6-difluoro-3-nitro-N-(oxan-2-ylmethyl)benzamide
CID 103740630

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-2,6-difluoro-3-nitrobenzamide?
The IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-2,6-difluoro-3-nitrobenzamide (CID 103839394) is N-[(1-cyclopropylcyclopropyl)methyl]-2,6-difluoro-3-nitrobenzamide.
What is the SMILES notation for N-[(1-cyclopropylcyclopropyl)methyl]-2,6-difluoro-3-nitrobenzamide?
The canonical SMILES for N-[(1-cyclopropylcyclopropyl)methyl]-2,6-difluoro-3-nitrobenzamide is O=C(NCC1(C2CC2)CC1)c1c(F)ccc([N+](=O)[O-])c1F.
What is the InChIKey of N-[(1-cyclopropylcyclopropyl)methyl]-2,6-difluoro-3-nitrobenzamide?
The InChIKey is NRLSCZZNBQQHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O3/c15-9-3-4-10(18(20)21)12(16)11(9)13(19)17-7-14(5-6-14)8-1-2-8/h3-4,8H,1-2,5-7H2,(H,17,19).
What are the key properties of N-[(1-cyclopropylcyclopropyl)methyl]-2,6-difluoro-3-nitrobenzamide?
N-[(1-cyclopropylcyclopropyl)methyl]-2,6-difluoro-3-nitrobenzamide has a molecular weight of 296.27 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylcyclopropyl)methyl]-2,6-difluoro-3-nitrobenzamide is sourced from PubChem (CID 103839394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).