5-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-nitrobenzamide

C17H14ClFN2O3 — CID 42266014

IUPAC5-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-nitrobenzamide
SMILESO=C(NCC1(c2ccc(F)cc2)CC1)c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C17H14ClFN2O3/c18-12-3-6-15(21(23)24)14(9-12)16(22)20-10-17(7-8-17)11-1-4-13(19)5-2-11/h1-6,9H,7-8,10H2,(H,20,22)
InChIKeyCFOOCBOTRFMEBD-UHFFFAOYSA-N
MW348.76 g/mol
LogP3.85
Rot. Bonds5

About 5-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-nitrobenzamide

5-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-nitrobenzamide (PubChem CID 42266014) has the molecular formula C17H14ClFN2O3 and a molecular weight of 348.76 g/mol. Its IUPAC name is 5-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-nitrobenzamide.

Molecular Properties

Compound Name5-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-nitrobenzamide
PubChem CID42266014
Molecular FormulaC17H14ClFN2O3
Molecular Weight348.76 g/mol
Exact Mass348.07
IUPAC Name5-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-nitrobenzamide
SMILESO=C(NCC1(c2ccc(F)cc2)CC1)c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C17H14ClFN2O3/c18-12-3-6-15(21(23)24)14(9-12)16(22)20-10-17(7-8-17)11-1-4-13(19)5-2-11/h1-6,9H,7-8,10H2,(H,20,22)
InChIKeyCFOOCBOTRFMEBD-UHFFFAOYSA-N
XLogP3.85
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.76
LogP ≤ 53.85
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

4-chloro-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-nitrobenzamide
CID 60555753
2-bromo-5-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzamide
CID 78891040
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-nitrobenzamide
CID 27450099
N-[(1-aminocyclohexyl)methyl]-5-chloro-2-nitrobenzamide
CID 119404114
5-chloro-N-[(1-methylcyclohexyl)methyl]-2-nitrobenzamide
CID 103753259
5-chloro-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-nitrobenzamide
CID 103804720
N-[[1-(chloromethyl)cyclopentyl]methyl]-5-fluoro-2-nitrobenzamide
CID 115364005
5-chloro-N-ethyl-2-nitrobenzamide
CID 3463536
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-fluorobenzamide
CID 42265696
2-chloro-6-fluoro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzamide
CID 42266029
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,5-dimethylbenzamide
CID 42266052
5-fluoro-2-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
CID 103742455

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-nitrobenzamide?
The IUPAC name of 5-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-nitrobenzamide (CID 42266014) is 5-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-nitrobenzamide.
What is the SMILES notation for 5-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-nitrobenzamide?
The canonical SMILES for 5-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-nitrobenzamide is O=C(NCC1(c2ccc(F)cc2)CC1)c1cc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 5-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-nitrobenzamide?
The InChIKey is CFOOCBOTRFMEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O3/c18-12-3-6-15(21(23)24)14(9-12)16(22)20-10-17(7-8-17)11-1-4-13(19)5-2-11/h1-6,9H,7-8,10H2,(H,20,22).
What are the key properties of 5-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-nitrobenzamide?
5-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-nitrobenzamide has a molecular weight of 348.76 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-nitrobenzamide is sourced from PubChem (CID 42266014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).