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

C14H19N3O3 — CID 115549077

IUPAC3-amino-N-[(1-methylcyclopentyl)methyl]-2-nitrobenzamide
SMILESCC1(CNC(=O)c2cccc(N)c2[N+](=O)[O-])CCCC1
InChIInChI=1S/C14H19N3O3/c1-14(7-2-3-8-14)9-16-13(18)10-5-4-6-11(15)12(10)17(19)20/h4-6H,2-3,7-9,15H2,1H3,(H,16,18)
InChIKeyZGSUXXQPDWBTLE-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.49
Rot. Bonds4

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

3-amino-N-[(1-methylcyclopentyl)methyl]-2-nitrobenzamide (PubChem CID 115549077) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-amino-N-[(1-methylcyclopentyl)methyl]-2-nitrobenzamide.

Molecular Properties

Compound Name3-amino-N-[(1-methylcyclopentyl)methyl]-2-nitrobenzamide
PubChem CID115549077
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name3-amino-N-[(1-methylcyclopentyl)methyl]-2-nitrobenzamide
SMILESCC1(CNC(=O)c2cccc(N)c2[N+](=O)[O-])CCCC1
InChIInChI=1S/C14H19N3O3/c1-14(7-2-3-8-14)9-16-13(18)10-5-4-6-11(15)12(10)17(19)20/h4-6H,2-3,7-9,15H2,1H3,(H,16,18)
InChIKeyZGSUXXQPDWBTLE-UHFFFAOYSA-N
XLogP2.49
TPSA98.26 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 ≤ 52.49
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-[(1-methylcyclobutyl)methyl]benzamide;hydrochloride
CID 119945728
2-(methylamino)-N-[(1-methylcyclobutyl)methyl]-3-nitrobenzamide
CID 104773289
3-amino-N-[2-(methylamino)-2-oxoethyl]-2-nitrobenzamide
CID 113333559
3-amino-N-[2-(carbamoylamino)ethyl]-2-nitrobenzamide
CID 83115159
2-amino-5-chloro-N-[(1-methylcyclopentyl)methyl]benzamide
CID 63821646
3-amino-N-(2,2-difluoroethyl)-2-nitrobenzamide
CID 113333576
2-amino-6-methyl-N-[(1-methylcyclopentyl)methyl]benzamide
CID 63822358
2-chloro-N-[(1-methylcyclopentyl)methyl]-5-nitrobenzamide
CID 63821949
3-amino-N-(2-methoxy-2-methylpropyl)-2-nitrobenzamide
CID 104765683
2-bromo-N-[(1-methylcyclopentyl)methyl]-5-nitrobenzamide
CID 63823221
3-amino-N-(2,2-dicyclopropylethyl)-2-nitrobenzamide
CID 115549225
3-amino-N-[2-(2-methoxyethoxy)ethyl]-2-nitrobenzamide
CID 115548691

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1-methylcyclopentyl)methyl]-2-nitrobenzamide?
The IUPAC name of 3-amino-N-[(1-methylcyclopentyl)methyl]-2-nitrobenzamide (CID 115549077) is 3-amino-N-[(1-methylcyclopentyl)methyl]-2-nitrobenzamide.
What is the SMILES notation for 3-amino-N-[(1-methylcyclopentyl)methyl]-2-nitrobenzamide?
The canonical SMILES for 3-amino-N-[(1-methylcyclopentyl)methyl]-2-nitrobenzamide is CC1(CNC(=O)c2cccc(N)c2[N+](=O)[O-])CCCC1.
What is the InChIKey of 3-amino-N-[(1-methylcyclopentyl)methyl]-2-nitrobenzamide?
The InChIKey is ZGSUXXQPDWBTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-14(7-2-3-8-14)9-16-13(18)10-5-4-6-11(15)12(10)17(19)20/h4-6H,2-3,7-9,15H2,1H3,(H,16,18).
What are the key properties of 3-amino-N-[(1-methylcyclopentyl)methyl]-2-nitrobenzamide?
3-amino-N-[(1-methylcyclopentyl)methyl]-2-nitrobenzamide has a molecular weight of 277.32 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1-methylcyclopentyl)methyl]-2-nitrobenzamide is sourced from PubChem (CID 115549077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).