2-amino-N-[(1-cyclopropylcyclopropyl)methyl]-3-nitrobenzamide

C14H17N3O3 — CID 103839379

IUPAC2-amino-N-[(1-cyclopropylcyclopropyl)methyl]-3-nitrobenzamide
SMILESNc1c(C(=O)NCC2(C3CC3)CC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H17N3O3/c15-12-10(2-1-3-11(12)17(19)20)13(18)16-8-14(6-7-14)9-4-5-9/h1-3,9H,4-8,15H2,(H,16,18)
InChIKeyUYQFUHBWWGLZNR-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.10
Rot. Bonds5

About 2-amino-N-[(1-cyclopropylcyclopropyl)methyl]-3-nitrobenzamide

2-amino-N-[(1-cyclopropylcyclopropyl)methyl]-3-nitrobenzamide (PubChem CID 103839379) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-amino-N-[(1-cyclopropylcyclopropyl)methyl]-3-nitrobenzamide.

Molecular Properties

Compound Name2-amino-N-[(1-cyclopropylcyclopropyl)methyl]-3-nitrobenzamide
PubChem CID103839379
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-amino-N-[(1-cyclopropylcyclopropyl)methyl]-3-nitrobenzamide
SMILESNc1c(C(=O)NCC2(C3CC3)CC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H17N3O3/c15-12-10(2-1-3-11(12)17(19)20)13(18)16-8-14(6-7-14)9-4-5-9/h1-3,9H,4-8,15H2,(H,16,18)
InChIKeyUYQFUHBWWGLZNR-UHFFFAOYSA-N
XLogP2.10
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-nitrobenzamide
CID 111782071
N-[(1-cyclopropylcyclopropyl)methyl]-4,5-difluoro-2-nitrobenzamide
CID 103841319
N-[(1-cyclopropylcyclopropyl)methyl]-2,6-difluoro-3-nitrobenzamide
CID 103839394
2-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-3-nitrobenzamide
CID 103733778
2-amino-3-nitro-N-(2-sulfamoylethyl)benzamide
CID 112699109
2-bromo-N-[(1-cyclopropylcyclopropyl)methyl]-3-fluorobenzamide
CID 114096122
2-amino-N-(2-ethylbutyl)-3-nitrobenzamide
CID 115678977
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methyl-3-nitrobenzamide
CID 115362547
2-amino-3-nitro-N-octylbenzamide
CID 115936915
2-amino-3-nitro-N-(2-piperidin-1-ylethyl)benzamide
CID 115677714
2-amino-3-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 112696758
2-amino-N-(3-ethoxypropyl)-3-nitrobenzamide
CID 112696624

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1-cyclopropylcyclopropyl)methyl]-3-nitrobenzamide?
The IUPAC name of 2-amino-N-[(1-cyclopropylcyclopropyl)methyl]-3-nitrobenzamide (CID 103839379) is 2-amino-N-[(1-cyclopropylcyclopropyl)methyl]-3-nitrobenzamide.
What is the SMILES notation for 2-amino-N-[(1-cyclopropylcyclopropyl)methyl]-3-nitrobenzamide?
The canonical SMILES for 2-amino-N-[(1-cyclopropylcyclopropyl)methyl]-3-nitrobenzamide is Nc1c(C(=O)NCC2(C3CC3)CC2)cccc1[N+](=O)[O-].
What is the InChIKey of 2-amino-N-[(1-cyclopropylcyclopropyl)methyl]-3-nitrobenzamide?
The InChIKey is UYQFUHBWWGLZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c15-12-10(2-1-3-11(12)17(19)20)13(18)16-8-14(6-7-14)9-4-5-9/h1-3,9H,4-8,15H2,(H,16,18).
What are the key properties of 2-amino-N-[(1-cyclopropylcyclopropyl)methyl]-3-nitrobenzamide?
2-amino-N-[(1-cyclopropylcyclopropyl)methyl]-3-nitrobenzamide has a molecular weight of 275.31 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1-cyclopropylcyclopropyl)methyl]-3-nitrobenzamide is sourced from PubChem (CID 103839379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).