N-cyclopropyl-N-methyl-5-(methylamino)-2-nitrobenzamide

C12H15N3O3 — CID 62170323

IUPACN-cyclopropyl-N-methyl-5-(methylamino)-2-nitrobenzamide
SMILESCNc1ccc([N+](=O)[O-])c(C(=O)N(C)C2CC2)c1
InChIInChI=1S/C12H15N3O3/c1-13-8-3-6-11(15(17)18)10(7-8)12(16)14(2)9-4-5-9/h3,6-7,9,13H,4-5H2,1-2H3
InChIKeyFAJFSBUUWLEXDC-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.87
Rot. Bonds4

About N-cyclopropyl-N-methyl-5-(methylamino)-2-nitrobenzamide

N-cyclopropyl-N-methyl-5-(methylamino)-2-nitrobenzamide (PubChem CID 62170323) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is N-cyclopropyl-N-methyl-5-(methylamino)-2-nitrobenzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-methyl-5-(methylamino)-2-nitrobenzamide
PubChem CID62170323
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC NameN-cyclopropyl-N-methyl-5-(methylamino)-2-nitrobenzamide
SMILESCNc1ccc([N+](=O)[O-])c(C(=O)N(C)C2CC2)c1
InChIInChI=1S/C12H15N3O3/c1-13-8-3-6-11(15(17)18)10(7-8)12(16)14(2)9-4-5-9/h3,6-7,9,13H,4-5H2,1-2H3
InChIKeyFAJFSBUUWLEXDC-UHFFFAOYSA-N
XLogP1.87
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.87
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-(cyclopropylmethyl)-N-ethyl-5-(methylamino)-2-nitrobenzamide
CID 63939145
N-cyclopropyl-4-fluoro-N-methyl-5-(methylamino)-2-nitrobenzamide
CID 62168087
N-[2-(dimethylamino)ethyl]-N-methyl-5-(methylamino)-2-nitrobenzamide
CID 63726710
[3-(dimethylamino)pyrrolidin-1-yl]-[5-(methylamino)-2-nitrophenyl]methanone
CID 63174933
N-cyclopropyl-5-(methylamino)-2-nitrobenzamide
CID 62172017
5-chloro-N-methyl-2-nitro-N-(oxan-4-yl)benzamide
CID 43611011
5-fluoro-N-methyl-2-nitro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443365
5-chloro-N-methyl-2-nitro-N-piperidin-4-ylbenzamide
CID 43602217
N-methyl-5-(methylamino)-N-(2-methylsulfanylethyl)-2-nitrobenzamide
CID 112664132
N-(cyclopentylmethyl)-5-(methylamino)-2-nitrobenzamide
CID 62168648
N-cyclopropyl-N-ethyl-5-(ethylamino)-2-nitrobenzamide
CID 62169978
5-(methylamino)-2-nitro-N-(oxan-4-yl)benzamide
CID 62170106

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-methyl-5-(methylamino)-2-nitrobenzamide?
The IUPAC name of N-cyclopropyl-N-methyl-5-(methylamino)-2-nitrobenzamide (CID 62170323) is N-cyclopropyl-N-methyl-5-(methylamino)-2-nitrobenzamide.
What is the SMILES notation for N-cyclopropyl-N-methyl-5-(methylamino)-2-nitrobenzamide?
The canonical SMILES for N-cyclopropyl-N-methyl-5-(methylamino)-2-nitrobenzamide is CNc1ccc([N+](=O)[O-])c(C(=O)N(C)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-N-methyl-5-(methylamino)-2-nitrobenzamide?
The InChIKey is FAJFSBUUWLEXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-13-8-3-6-11(15(17)18)10(7-8)12(16)14(2)9-4-5-9/h3,6-7,9,13H,4-5H2,1-2H3.
What are the key properties of N-cyclopropyl-N-methyl-5-(methylamino)-2-nitrobenzamide?
N-cyclopropyl-N-methyl-5-(methylamino)-2-nitrobenzamide has a molecular weight of 249.27 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-methyl-5-(methylamino)-2-nitrobenzamide is sourced from PubChem (CID 62170323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).