3-(methylamino)-N-(3-methylcyclopentyl)-2-nitrobenzamide

C14H19N3O3 — CID 114540639

IUPAC3-(methylamino)-N-(3-methylcyclopentyl)-2-nitrobenzamide
SMILESCNc1cccc(C(=O)NC2CCC(C)C2)c1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O3/c1-9-6-7-10(8-9)16-14(18)11-4-3-5-12(15-2)13(11)17(19)20/h3-5,9-10,15H,6-8H2,1-2H3,(H,16,18)
InChIKeySFJPOZCCGYXCOC-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.55
Rot. Bonds4

About 3-(methylamino)-N-(3-methylcyclopentyl)-2-nitrobenzamide

3-(methylamino)-N-(3-methylcyclopentyl)-2-nitrobenzamide (PubChem CID 114540639) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-(methylamino)-N-(3-methylcyclopentyl)-2-nitrobenzamide.

Molecular Properties

Compound Name3-(methylamino)-N-(3-methylcyclopentyl)-2-nitrobenzamide
PubChem CID114540639
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name3-(methylamino)-N-(3-methylcyclopentyl)-2-nitrobenzamide
SMILESCNc1cccc(C(=O)NC2CCC(C)C2)c1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O3/c1-9-6-7-10(8-9)16-14(18)11-4-3-5-12(15-2)13(11)17(19)20/h3-5,9-10,15H,6-8H2,1-2H3,(H,16,18)
InChIKeySFJPOZCCGYXCOC-UHFFFAOYSA-N
XLogP2.55
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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

3-(ethylamino)-N-(3-methylcyclopentyl)-2-nitrobenzamide
CID 114540515
3-[(3-methyl-2-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66033111
3-(methylamino)-N-(3-methylcyclopentyl)-2-nitrobenzenesulfonamide
CID 114540123
2-fluoro-N-(3-methylcyclopentyl)-5-nitrobenzamide
CID 114545572
3-(methylamino)-2-nitro-N-pentylbenzamide
CID 115548093
[3-(methylamino)-2-nitrophenyl]-(2-methylpiperidin-1-yl)methanone
CID 115548215
2-nitro-3-(propylamino)-N-(thiolan-3-yl)benzamide
CID 103064701
N-cyclopentyl-3-methyl-2-nitrobenzamide
CID 890353
N-(4-aminocyclohexyl)-3-methyl-2-nitrobenzamide
CID 62312779
3-(methylamino)-2-nitro-N-pentan-2-ylbenzamide
CID 115548112
4-fluoro-5-hydrazinyl-N-(3-methylcyclopentyl)-2-nitrobenzamide
CID 114541023
3-chloro-2-fluoro-N-(3-methylcyclopentyl)benzamide
CID 114550116

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-N-(3-methylcyclopentyl)-2-nitrobenzamide?
The IUPAC name of 3-(methylamino)-N-(3-methylcyclopentyl)-2-nitrobenzamide (CID 114540639) is 3-(methylamino)-N-(3-methylcyclopentyl)-2-nitrobenzamide.
What is the SMILES notation for 3-(methylamino)-N-(3-methylcyclopentyl)-2-nitrobenzamide?
The canonical SMILES for 3-(methylamino)-N-(3-methylcyclopentyl)-2-nitrobenzamide is CNc1cccc(C(=O)NC2CCC(C)C2)c1[N+](=O)[O-].
What is the InChIKey of 3-(methylamino)-N-(3-methylcyclopentyl)-2-nitrobenzamide?
The InChIKey is SFJPOZCCGYXCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9-6-7-10(8-9)16-14(18)11-4-3-5-12(15-2)13(11)17(19)20/h3-5,9-10,15H,6-8H2,1-2H3,(H,16,18).
What are the key properties of 3-(methylamino)-N-(3-methylcyclopentyl)-2-nitrobenzamide?
3-(methylamino)-N-(3-methylcyclopentyl)-2-nitrobenzamide has a molecular weight of 277.32 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-N-(3-methylcyclopentyl)-2-nitrobenzamide is sourced from PubChem (CID 114540639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).