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

C11H13N3O3 — CID 62172017

IUPACN-cyclopropyl-5-(methylamino)-2-nitrobenzamide
SMILESCNc1ccc([N+](=O)[O-])c(C(=O)NC2CC2)c1
InChIInChI=1S/C11H13N3O3/c1-12-8-4-5-10(14(16)17)9(6-8)11(15)13-7-2-3-7/h4-7,12H,2-3H2,1H3,(H,13,15)
InChIKeyUSFFCRVRNFERKB-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.53
Rot. Bonds4

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

N-cyclopropyl-5-(methylamino)-2-nitrobenzamide (PubChem CID 62172017) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is N-cyclopropyl-5-(methylamino)-2-nitrobenzamide.

Molecular Properties

Compound NameN-cyclopropyl-5-(methylamino)-2-nitrobenzamide
PubChem CID62172017
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC NameN-cyclopropyl-5-(methylamino)-2-nitrobenzamide
SMILESCNc1ccc([N+](=O)[O-])c(C(=O)NC2CC2)c1
InChIInChI=1S/C11H13N3O3/c1-12-8-4-5-10(14(16)17)9(6-8)11(15)13-7-2-3-7/h4-7,12H,2-3H2,1H3,(H,13,15)
InChIKeyUSFFCRVRNFERKB-UHFFFAOYSA-N
XLogP1.53
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.53
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

5-(methylamino)-2-nitro-N-(oxan-4-yl)benzamide
CID 62170106
5-(methylamino)-N-(3-methylcyclohexyl)-2-nitrobenzamide
CID 62168308
N-(2-cyclopentylethyl)-5-(methylamino)-2-nitrobenzamide
CID 62180578
N-(cyclopentylmethyl)-5-(methylamino)-2-nitrobenzamide
CID 62168648
N-cyclopentyl-5-methyl-2-nitrobenzamide
CID 65462834
5-amino-N-(4-methylcyclohexyl)-2-nitrobenzamide
CID 62156540
N-(4-aminocyclohexyl)-5-methyl-2-nitrobenzamide;hydrochloride
CID 119476368
N-cyclopropyl-4-fluoro-5-(methylamino)-2-nitrobenzamide
CID 55042740
N-cyclopropyl-N-methyl-5-(methylamino)-2-nitrobenzamide
CID 62170323
N-(4-methylcyclohexyl)-5-methylsulfanyl-2-nitrobenzamide
CID 27020308
N-(4-fluorophenyl)-5-(methylamino)-2-nitrobenzamide
CID 62167428
5-(methylamino)-N-[3-(methylamino)-3-oxopropyl]-2-nitrobenzamide
CID 62174870

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(methylamino)-2-nitrobenzamide?
The IUPAC name of N-cyclopropyl-5-(methylamino)-2-nitrobenzamide (CID 62172017) is N-cyclopropyl-5-(methylamino)-2-nitrobenzamide.
What is the SMILES notation for N-cyclopropyl-5-(methylamino)-2-nitrobenzamide?
The canonical SMILES for N-cyclopropyl-5-(methylamino)-2-nitrobenzamide is CNc1ccc([N+](=O)[O-])c(C(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-5-(methylamino)-2-nitrobenzamide?
The InChIKey is USFFCRVRNFERKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-12-8-4-5-10(14(16)17)9(6-8)11(15)13-7-2-3-7/h4-7,12H,2-3H2,1H3,(H,13,15).
What are the key properties of N-cyclopropyl-5-(methylamino)-2-nitrobenzamide?
N-cyclopropyl-5-(methylamino)-2-nitrobenzamide has a molecular weight of 235.24 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(methylamino)-2-nitrobenzamide is sourced from PubChem (CID 62172017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).