N-(2-methylcyclopropyl)-2-nitro-5-(propylamino)benzamide

C14H19N3O3 — CID 62408663

IUPACN-(2-methylcyclopropyl)-2-nitro-5-(propylamino)benzamide
SMILESCCCNc1ccc([N+](=O)[O-])c(C(=O)NC2CC2C)c1
InChIInChI=1S/C14H19N3O3/c1-3-6-15-10-4-5-13(17(19)20)11(8-10)14(18)16-12-7-9(12)2/h4-5,8-9,12,15H,3,6-7H2,1-2H3,(H,16,18)
InChIKeySDZUMUNZOBROKO-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.55
Rot. Bonds6

About N-(2-methylcyclopropyl)-2-nitro-5-(propylamino)benzamide

N-(2-methylcyclopropyl)-2-nitro-5-(propylamino)benzamide (PubChem CID 62408663) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-(2-methylcyclopropyl)-2-nitro-5-(propylamino)benzamide.

Molecular Properties

Compound NameN-(2-methylcyclopropyl)-2-nitro-5-(propylamino)benzamide
PubChem CID62408663
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-(2-methylcyclopropyl)-2-nitro-5-(propylamino)benzamide
SMILESCCCNc1ccc([N+](=O)[O-])c(C(=O)NC2CC2C)c1
InChIInChI=1S/C14H19N3O3/c1-3-6-15-10-4-5-13(17(19)20)11(8-10)14(18)16-12-7-9(12)2/h4-5,8-9,12,15H,3,6-7H2,1-2H3,(H,16,18)
InChIKeySDZUMUNZOBROKO-UHFFFAOYSA-N
XLogP2.55
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.55
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-(ethylamino)-N-(2-methylcyclopropyl)-2-nitrobenzamide
CID 62408662
N-(2-methylcyclopropyl)-2-nitro-4-(propylamino)benzenesulfonamide
CID 62408264
N-(cyclopropylmethyl)-N-methyl-2-nitro-5-(propylamino)benzamide
CID 62180251
5-fluoro-2-nitro-N-(2-propylcyclopropyl)benzamide
CID 103713598
2-nitro-N-(1,2-oxazol-3-yl)-5-(propylamino)benzamide
CID 62904145
N-cyclopropyl-5-(methylamino)-2-nitrobenzamide
CID 62172017
5-(methylamino)-N-(3-methylcyclohexyl)-2-nitrobenzamide
CID 62168308
5-(ethylamino)-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-nitrobenzamide
CID 63863167
3-chloro-N-(2-methylcyclopropyl)-4-nitrobenzamide
CID 82780340
5-(methylamino)-2-nitro-N-(oxan-4-yl)benzamide
CID 62170106
2-amino-N-(2-methylcyclopropyl)-5-nitrobenzamide
CID 62410185
5-fluoro-N-(2-methylcyclopropyl)-2-(propylamino)pyridine-3-carboxamide
CID 114034997

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclopropyl)-2-nitro-5-(propylamino)benzamide?
The IUPAC name of N-(2-methylcyclopropyl)-2-nitro-5-(propylamino)benzamide (CID 62408663) is N-(2-methylcyclopropyl)-2-nitro-5-(propylamino)benzamide.
What is the SMILES notation for N-(2-methylcyclopropyl)-2-nitro-5-(propylamino)benzamide?
The canonical SMILES for N-(2-methylcyclopropyl)-2-nitro-5-(propylamino)benzamide is CCCNc1ccc([N+](=O)[O-])c(C(=O)NC2CC2C)c1.
What is the InChIKey of N-(2-methylcyclopropyl)-2-nitro-5-(propylamino)benzamide?
The InChIKey is SDZUMUNZOBROKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-3-6-15-10-4-5-13(17(19)20)11(8-10)14(18)16-12-7-9(12)2/h4-5,8-9,12,15H,3,6-7H2,1-2H3,(H,16,18).
What are the key properties of N-(2-methylcyclopropyl)-2-nitro-5-(propylamino)benzamide?
N-(2-methylcyclopropyl)-2-nitro-5-(propylamino)benzamide has a molecular weight of 277.32 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclopropyl)-2-nitro-5-(propylamino)benzamide is sourced from PubChem (CID 62408663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).