3-chloro-N-(2-cyclopropylpropyl)-4-nitrobenzamide

C13H15ClN2O3 — CID 115868875

IUPAC3-chloro-N-(2-cyclopropylpropyl)-4-nitrobenzamide
SMILESCC(CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C1CC1
InChIInChI=1S/C13H15ClN2O3/c1-8(9-2-3-9)7-15-13(17)10-4-5-12(16(18)19)11(14)6-10/h4-6,8-9H,2-3,7H2,1H3,(H,15,17)
InChIKeyXRSCSQUKGNSDCG-UHFFFAOYSA-N
MW282.73 g/mol
LogP3.02
Rot. Bonds5

About 3-chloro-N-(2-cyclopropylpropyl)-4-nitrobenzamide

3-chloro-N-(2-cyclopropylpropyl)-4-nitrobenzamide (PubChem CID 115868875) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is 3-chloro-N-(2-cyclopropylpropyl)-4-nitrobenzamide.

Molecular Properties

Compound Name3-chloro-N-(2-cyclopropylpropyl)-4-nitrobenzamide
PubChem CID115868875
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC Name3-chloro-N-(2-cyclopropylpropyl)-4-nitrobenzamide
SMILESCC(CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C1CC1
InChIInChI=1S/C13H15ClN2O3/c1-8(9-2-3-9)7-15-13(17)10-4-5-12(16(18)19)11(14)6-10/h4-6,8-9H,2-3,7H2,1H3,(H,15,17)
InChIKeyXRSCSQUKGNSDCG-UHFFFAOYSA-N
XLogP3.02
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 53.02
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

3-chloro-N-(2,3-dihydroxypropyl)-4-nitrobenzamide
CID 82780881
3-chloro-N-(1-cyclopentylethyl)-4-nitrobenzamide
CID 82780449
3-chloro-4-nitro-N-[1-(oxan-4-yl)ethyl]benzamide
CID 103873347
3-chloro-N-(5-methylhexyl)-4-nitrobenzamide
CID 82781662
N-(2-acetamidoethyl)-3-chloro-4-nitrobenzamide
CID 82781778
3-chloro-N-(cyanomethyl)-4-nitrobenzamide
CID 82780665
N-(2,2-dicyclopropylethyl)-3-hydroxy-4-nitrobenzamide
CID 103711997
N-(2-chloro-2-cyclopropylethyl)-3-methoxy-4-nitrobenzamide
CID 104784801
3-chloro-N-[(1-methylcyclobutyl)methyl]-4-nitrobenzamide
CID 103873304
3-chloro-N-[(1-ethylcyclopropyl)methyl]-4-nitrobenzamide
CID 103873302
3-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-4-nitrobenzamide
CID 82775963
3-chloro-N-hexyl-4-nitrobenzamide
CID 82781291

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-cyclopropylpropyl)-4-nitrobenzamide?
The IUPAC name of 3-chloro-N-(2-cyclopropylpropyl)-4-nitrobenzamide (CID 115868875) is 3-chloro-N-(2-cyclopropylpropyl)-4-nitrobenzamide.
What is the SMILES notation for 3-chloro-N-(2-cyclopropylpropyl)-4-nitrobenzamide?
The canonical SMILES for 3-chloro-N-(2-cyclopropylpropyl)-4-nitrobenzamide is CC(CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C1CC1.
What is the InChIKey of 3-chloro-N-(2-cyclopropylpropyl)-4-nitrobenzamide?
The InChIKey is XRSCSQUKGNSDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c1-8(9-2-3-9)7-15-13(17)10-4-5-12(16(18)19)11(14)6-10/h4-6,8-9H,2-3,7H2,1H3,(H,15,17).
What are the key properties of 3-chloro-N-(2-cyclopropylpropyl)-4-nitrobenzamide?
3-chloro-N-(2-cyclopropylpropyl)-4-nitrobenzamide has a molecular weight of 282.73 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-cyclopropylpropyl)-4-nitrobenzamide is sourced from PubChem (CID 115868875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).