3-chloro-N-cyclopentyl-N-methyl-2-nitrobenzamide

C13H15ClN2O3 — CID 79831168

IUPAC3-chloro-N-cyclopentyl-N-methyl-2-nitrobenzamide
SMILESCN(C(=O)c1cccc(Cl)c1[N+](=O)[O-])C1CCCC1
InChIInChI=1S/C13H15ClN2O3/c1-15(9-5-2-3-6-9)13(17)10-7-4-8-11(14)12(10)16(18)19/h4,7-9H,2-3,5-6H2,1H3
InChIKeyNOUNQRSQUPNHHP-UHFFFAOYSA-N
MW282.73 g/mol
LogP3.26
Rot. Bonds3

About 3-chloro-N-cyclopentyl-N-methyl-2-nitrobenzamide

3-chloro-N-cyclopentyl-N-methyl-2-nitrobenzamide (PubChem CID 79831168) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is 3-chloro-N-cyclopentyl-N-methyl-2-nitrobenzamide.

Molecular Properties

Compound Name3-chloro-N-cyclopentyl-N-methyl-2-nitrobenzamide
PubChem CID79831168
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC Name3-chloro-N-cyclopentyl-N-methyl-2-nitrobenzamide
SMILESCN(C(=O)c1cccc(Cl)c1[N+](=O)[O-])C1CCCC1
InChIInChI=1S/C13H15ClN2O3/c1-15(9-5-2-3-6-9)13(17)10-7-4-8-11(14)12(10)16(18)19/h4,7-9H,2-3,5-6H2,1H3
InChIKeyNOUNQRSQUPNHHP-UHFFFAOYSA-N
XLogP3.26
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 53.26
H-Bond Donors ≤ 50
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

2-chloro-N-cyclopentyl-N-methyl-3-nitrobenzamide
CID 112576264
3-chloro-N-(cyclobutylmethyl)-N-methyl-2-nitrobenzamide
CID 79832037
2-chloro-N-cycloheptyl-N-methyl-3-nitropyridine-4-carboxamide
CID 64856669
N-(azepan-4-yl)-N,3-dimethyl-2-nitrobenzamide
CID 107172411
3-chloro-N-(cyclobutylmethyl)-2-nitrobenzamide
CID 79831189
3-chloro-N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-nitrobenzamide
CID 115541164
2,3-dichloro-N-cyclobutyl-N-methyl-5-nitrobenzamide
CID 107189508
N-(azepan-4-yl)-2-chloro-N-methylbenzamide
CID 104974708
2-chloro-N-methyl-3-nitro-N-(oxolan-3-yl)pyridine-4-carboxamide
CID 79208597
2-[cyclohexyl(methyl)carbamoyl]benzoate
CID 2302400
2-chloro-N-cycloheptyl-N-methylpyridine-3-carboxamide
CID 43409219
3-[cycloheptyl(methyl)amino]-2-nitrobenzoic acid
CID 115542201

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclopentyl-N-methyl-2-nitrobenzamide?
The IUPAC name of 3-chloro-N-cyclopentyl-N-methyl-2-nitrobenzamide (CID 79831168) is 3-chloro-N-cyclopentyl-N-methyl-2-nitrobenzamide.
What is the SMILES notation for 3-chloro-N-cyclopentyl-N-methyl-2-nitrobenzamide?
The canonical SMILES for 3-chloro-N-cyclopentyl-N-methyl-2-nitrobenzamide is CN(C(=O)c1cccc(Cl)c1[N+](=O)[O-])C1CCCC1.
What is the InChIKey of 3-chloro-N-cyclopentyl-N-methyl-2-nitrobenzamide?
The InChIKey is NOUNQRSQUPNHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c1-15(9-5-2-3-6-9)13(17)10-7-4-8-11(14)12(10)16(18)19/h4,7-9H,2-3,5-6H2,1H3.
What are the key properties of 3-chloro-N-cyclopentyl-N-methyl-2-nitrobenzamide?
3-chloro-N-cyclopentyl-N-methyl-2-nitrobenzamide has a molecular weight of 282.73 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclopentyl-N-methyl-2-nitrobenzamide is sourced from PubChem (CID 79831168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).