3,4-dichloro-N-cyclopentyloxy-5-nitrobenzamide

C12H12Cl2N2O4 — CID 107856497

IUPAC3,4-dichloro-N-cyclopentyloxy-5-nitrobenzamide
SMILESO=C(NOC1CCCC1)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C12H12Cl2N2O4/c13-9-5-7(6-10(11(9)14)16(18)19)12(17)15-20-8-3-1-2-4-8/h5-6,8H,1-4H2,(H,15,17)
InChIKeyLRCHWGZUQTYTEI-UHFFFAOYSA-N
MW319.14 g/mol
LogP3.51
Rot. Bonds4

About 3,4-dichloro-N-cyclopentyloxy-5-nitrobenzamide

3,4-dichloro-N-cyclopentyloxy-5-nitrobenzamide (PubChem CID 107856497) has the molecular formula C12H12Cl2N2O4 and a molecular weight of 319.14 g/mol. Its IUPAC name is 3,4-dichloro-N-cyclopentyloxy-5-nitrobenzamide.

Molecular Properties

Compound Name3,4-dichloro-N-cyclopentyloxy-5-nitrobenzamide
PubChem CID107856497
Molecular FormulaC12H12Cl2N2O4
Molecular Weight319.14 g/mol
Exact Mass318.02
IUPAC Name3,4-dichloro-N-cyclopentyloxy-5-nitrobenzamide
SMILESO=C(NOC1CCCC1)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C12H12Cl2N2O4/c13-9-5-7(6-10(11(9)14)16(18)19)12(17)15-20-8-3-1-2-4-8/h5-6,8H,1-4H2,(H,15,17)
InChIKeyLRCHWGZUQTYTEI-UHFFFAOYSA-N
XLogP3.51
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.14
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-cyclopentyloxy-4-methylsulfanyl-3-nitrobenzamide
CID 83202866
3,4-dichloro-N-methyl-5-nitrobenzamide
CID 43215307
methyl 2-[(3,4-dichloro-5-nitrobenzoyl)amino]propanoate
CID 60654184
N-(2-amino-2-oxoethyl)-3,4-dichloro-5-nitrobenzamide
CID 43216293
3,4-dichloro-N-cyclopentyl-N-methyl-5-nitrobenzamide
CID 43216446
3,4-dichloro-N-[(1-methylpyrrolidin-2-yl)methyl]-5-nitrobenzamide
CID 106027973
3,4-dichloro-N-(1,1-dioxothiolan-3-yl)-5-nitrobenzamide
CID 43215623
N-cyclopentyloxy-3,5-difluorobenzamide
CID 83202361
3,4-dichloro-N-cyclobutyl-N-methyl-5-nitrobenzamide
CID 115649173
3,4-dichloro-N-[(2-methylcyclopropyl)methyl]-5-nitrobenzamide
CID 113463738
3,4-dichloro-N-(1-cyanoethyl)-5-nitrobenzamide
CID 113346760
3,4-dichloro-N-(cyclobutylmethyl)-N-methyl-5-nitrobenzamide
CID 62862378

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-cyclopentyloxy-5-nitrobenzamide?
The IUPAC name of 3,4-dichloro-N-cyclopentyloxy-5-nitrobenzamide (CID 107856497) is 3,4-dichloro-N-cyclopentyloxy-5-nitrobenzamide.
What is the SMILES notation for 3,4-dichloro-N-cyclopentyloxy-5-nitrobenzamide?
The canonical SMILES for 3,4-dichloro-N-cyclopentyloxy-5-nitrobenzamide is O=C(NOC1CCCC1)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 3,4-dichloro-N-cyclopentyloxy-5-nitrobenzamide?
The InChIKey is LRCHWGZUQTYTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O4/c13-9-5-7(6-10(11(9)14)16(18)19)12(17)15-20-8-3-1-2-4-8/h5-6,8H,1-4H2,(H,15,17).
What are the key properties of 3,4-dichloro-N-cyclopentyloxy-5-nitrobenzamide?
3,4-dichloro-N-cyclopentyloxy-5-nitrobenzamide has a molecular weight of 319.14 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-cyclopentyloxy-5-nitrobenzamide is sourced from PubChem (CID 107856497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).