N-(1-amino-2-cyclopropylpropan-2-yl)-2-chloro-5-nitrobenzamide

C13H16ClN3O3 — CID 115307722

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-2-chloro-5-nitrobenzamide
SMILESCC(CN)(NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C1CC1
InChIInChI=1S/C13H16ClN3O3/c1-13(7-15,8-2-3-8)16-12(18)10-6-9(17(19)20)4-5-11(10)14/h4-6,8H,2-3,7,15H2,1H3,(H,16,18)
InChIKeyQZIOOEZWUXBLST-UHFFFAOYSA-N
MW297.74 g/mol
LogP2.11
Rot. Bonds5

About N-(1-amino-2-cyclopropylpropan-2-yl)-2-chloro-5-nitrobenzamide

N-(1-amino-2-cyclopropylpropan-2-yl)-2-chloro-5-nitrobenzamide (PubChem CID 115307722) has the molecular formula C13H16ClN3O3 and a molecular weight of 297.74 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-2-chloro-5-nitrobenzamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-chloro-5-nitrobenzamide
PubChem CID115307722
Molecular FormulaC13H16ClN3O3
Molecular Weight297.74 g/mol
Exact Mass297.09
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-chloro-5-nitrobenzamide
SMILESCC(CN)(NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C1CC1
InChIInChI=1S/C13H16ClN3O3/c1-13(7-15,8-2-3-8)16-12(18)10-6-9(17(19)20)4-5-11(10)14/h4-6,8H,2-3,7,15H2,1H3,(H,16,18)
InChIKeyQZIOOEZWUXBLST-UHFFFAOYSA-N
XLogP2.11
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 52.11
H-Bond Donors ≤ 52
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-(1-amino-2-methylpropan-2-yl)-2-chloro-5-nitrobenzamide
CID 63194127
N-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dichlorobenzamide;hydrochloride
CID 119572690
N-(1-amino-2-cyclopropylpropan-2-yl)-2-fluoro-3-methyl-5-nitrobenzamide
CID 103297765
2-chloro-N-(2-methylbutan-2-yl)-5-nitrobenzamide
CID 2668692
N-(1-amino-2-cyclopropylpropan-2-yl)-5-fluoro-2-nitrobenzamide;hydrochloride
CID 119574662
N-(1-amino-2-cyclopropylpropan-2-yl)-4-nitro-1H-pyrrole-2-carboxamide
CID 81485746
N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-3-nitrobenzamide
CID 81486449
N-(1-amino-2-cyclopropylpropan-2-yl)-2,4-dichloro-5-fluorobenzamide;hydrochloride
CID 119572423
N-(1-amino-2-methylpropan-2-yl)-2-chloro-4-nitrobenzamide
CID 119522293
N-(1-amino-2-cyclopropylpropan-2-yl)-3-chloropyridine-4-carboxamide
CID 81486883
N-(2-amino-2-cyclopropylethyl)-2-chloro-5-nitrobenzamide
CID 115301113
N-(1-amino-2-cyclopropylpropan-2-yl)-5-chloro-2-iodobenzamide;hydrochloride
CID 119573365

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-chloro-5-nitrobenzamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-chloro-5-nitrobenzamide (CID 115307722) is N-(1-amino-2-cyclopropylpropan-2-yl)-2-chloro-5-nitrobenzamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-2-chloro-5-nitrobenzamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-2-chloro-5-nitrobenzamide is CC(CN)(NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C1CC1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-2-chloro-5-nitrobenzamide?
The InChIKey is QZIOOEZWUXBLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O3/c1-13(7-15,8-2-3-8)16-12(18)10-6-9(17(19)20)4-5-11(10)14/h4-6,8H,2-3,7,15H2,1H3,(H,16,18).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-2-chloro-5-nitrobenzamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-2-chloro-5-nitrobenzamide has a molecular weight of 297.74 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-2-chloro-5-nitrobenzamide is sourced from PubChem (CID 115307722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).