2-(methylamino)-N-[(2-methylcyclopentyl)methyl]-5-nitrobenzamide

C15H21N3O3 — CID 107420613

IUPAC2-(methylamino)-N-[(2-methylcyclopentyl)methyl]-5-nitrobenzamide
SMILESCNc1ccc([N+](=O)[O-])cc1C(=O)NCC1CCCC1C
InChIInChI=1S/C15H21N3O3/c1-10-4-3-5-11(10)9-17-15(19)13-8-12(18(20)21)6-7-14(13)16-2/h6-8,10-11,16H,3-5,9H2,1-2H3,(H,17,19)
InChIKeyFCZJDMBWLZBCAO-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.80
Rot. Bonds5

About 2-(methylamino)-N-[(2-methylcyclopentyl)methyl]-5-nitrobenzamide

2-(methylamino)-N-[(2-methylcyclopentyl)methyl]-5-nitrobenzamide (PubChem CID 107420613) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-(methylamino)-N-[(2-methylcyclopentyl)methyl]-5-nitrobenzamide.

Molecular Properties

Compound Name2-(methylamino)-N-[(2-methylcyclopentyl)methyl]-5-nitrobenzamide
PubChem CID107420613
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-(methylamino)-N-[(2-methylcyclopentyl)methyl]-5-nitrobenzamide
SMILESCNc1ccc([N+](=O)[O-])cc1C(=O)NCC1CCCC1C
InChIInChI=1S/C15H21N3O3/c1-10-4-3-5-11(10)9-17-15(19)13-8-12(18(20)21)6-7-14(13)16-2/h6-8,10-11,16H,3-5,9H2,1-2H3,(H,17,19)
InChIKeyFCZJDMBWLZBCAO-UHFFFAOYSA-N
XLogP2.80
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.80
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

2-chloro-N-[(2-methylcyclopentyl)methyl]-4-nitrobenzamide
CID 107417795
2-(methylamino)-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107419522
N-(3-cyclopropylpropyl)-2-(methylamino)-5-nitrobenzamide
CID 115635942
2-(methylamino)-N-[(1-methylcyclopentyl)methyl]-5-nitrobenzamide
CID 63822125
N-(4-hydroxycyclohexyl)-2-(methylamino)-5-nitrobenzamide
CID 60656170
N-(cyclobutylmethyl)-N-ethyl-2-(methylamino)-5-nitrobenzamide
CID 107401291
N-[(2-chlorocyclohexyl)methyl]-2-methyl-5-nitrobenzamide
CID 114301566
N-[(1-ethylcyclobutyl)methyl]-2-(methylamino)-5-nitrobenzamide
CID 103741365
2-hydroxy-N-[(2-methylcyclohexyl)methyl]-3-nitrobenzamide
CID 102741652
2-amino-N-(cyclobutylmethyl)-5-nitrobenzamide
CID 62061126
N-(3-methoxypropyl)-2-(methylamino)-5-nitrobenzamide
CID 35513765
2-(methylamino)-N-(2-methylsulfinylethyl)-5-nitrobenzamide
CID 115616666

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[(2-methylcyclopentyl)methyl]-5-nitrobenzamide?
The IUPAC name of 2-(methylamino)-N-[(2-methylcyclopentyl)methyl]-5-nitrobenzamide (CID 107420613) is 2-(methylamino)-N-[(2-methylcyclopentyl)methyl]-5-nitrobenzamide.
What is the SMILES notation for 2-(methylamino)-N-[(2-methylcyclopentyl)methyl]-5-nitrobenzamide?
The canonical SMILES for 2-(methylamino)-N-[(2-methylcyclopentyl)methyl]-5-nitrobenzamide is CNc1ccc([N+](=O)[O-])cc1C(=O)NCC1CCCC1C.
What is the InChIKey of 2-(methylamino)-N-[(2-methylcyclopentyl)methyl]-5-nitrobenzamide?
The InChIKey is FCZJDMBWLZBCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10-4-3-5-11(10)9-17-15(19)13-8-12(18(20)21)6-7-14(13)16-2/h6-8,10-11,16H,3-5,9H2,1-2H3,(H,17,19).
What are the key properties of 2-(methylamino)-N-[(2-methylcyclopentyl)methyl]-5-nitrobenzamide?
2-(methylamino)-N-[(2-methylcyclopentyl)methyl]-5-nitrobenzamide has a molecular weight of 291.35 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[(2-methylcyclopentyl)methyl]-5-nitrobenzamide is sourced from PubChem (CID 107420613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).