N-(cyclopentylmethyl)-5-(methylamino)-2-nitrobenzamide

C14H19N3O3 — CID 62168648

IUPACN-(cyclopentylmethyl)-5-(methylamino)-2-nitrobenzamide
SMILESCNc1ccc([N+](=O)[O-])c(C(=O)NCC2CCCC2)c1
InChIInChI=1S/C14H19N3O3/c1-15-11-6-7-13(17(19)20)12(8-11)14(18)16-9-10-4-2-3-5-10/h6-8,10,15H,2-5,9H2,1H3,(H,16,18)
InChIKeyDZLKOSFNOCBYTD-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.56
Rot. Bonds5

About N-(cyclopentylmethyl)-5-(methylamino)-2-nitrobenzamide

N-(cyclopentylmethyl)-5-(methylamino)-2-nitrobenzamide (PubChem CID 62168648) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-5-(methylamino)-2-nitrobenzamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-5-(methylamino)-2-nitrobenzamide
PubChem CID62168648
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-(cyclopentylmethyl)-5-(methylamino)-2-nitrobenzamide
SMILESCNc1ccc([N+](=O)[O-])c(C(=O)NCC2CCCC2)c1
InChIInChI=1S/C14H19N3O3/c1-15-11-6-7-13(17(19)20)12(8-11)14(18)16-9-10-4-2-3-5-10/h6-8,10,15H,2-5,9H2,1H3,(H,16,18)
InChIKeyDZLKOSFNOCBYTD-UHFFFAOYSA-N
XLogP2.56
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.56
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

N-(2-cyclopentylethyl)-5-(methylamino)-2-nitrobenzamide
CID 62180578
N-[(1-benzhydrylpiperidin-4-yl)methyl]-5-(methylamino)-2-nitrobenzamide
CID 67594574
N-cyclopropyl-5-(methylamino)-2-nitrobenzamide
CID 62172017
N-(cyclobutylmethyl)-3-(methylamino)-4-nitrobenzamide
CID 62682663
N-(2-butoxyethyl)-5-(methylamino)-2-nitrobenzamide
CID 62177960
5-hydroxy-2-nitro-N-(oxan-4-ylmethyl)benzamide
CID 102741836
5-(methylamino)-N-[3-(methylamino)-3-oxopropyl]-2-nitrobenzamide
CID 62174870
N-(cyclopropylmethyl)-N-ethyl-5-(methylamino)-2-nitrobenzamide
CID 63939145
5-methyl-2-nitro-N-(piperidin-4-ylmethyl)benzamide
CID 65461649
5-(methylamino)-2-nitro-N-(oxan-4-yl)benzamide
CID 62170106
N-(2-ethoxy-2-methylpropyl)-5-(methylamino)-2-nitrobenzamide
CID 114944100
N-cyclopropyl-N-methyl-5-(methylamino)-2-nitrobenzamide
CID 62170323

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-5-(methylamino)-2-nitrobenzamide?
The IUPAC name of N-(cyclopentylmethyl)-5-(methylamino)-2-nitrobenzamide (CID 62168648) is N-(cyclopentylmethyl)-5-(methylamino)-2-nitrobenzamide.
What is the SMILES notation for N-(cyclopentylmethyl)-5-(methylamino)-2-nitrobenzamide?
The canonical SMILES for N-(cyclopentylmethyl)-5-(methylamino)-2-nitrobenzamide is CNc1ccc([N+](=O)[O-])c(C(=O)NCC2CCCC2)c1.
What is the InChIKey of N-(cyclopentylmethyl)-5-(methylamino)-2-nitrobenzamide?
The InChIKey is DZLKOSFNOCBYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-15-11-6-7-13(17(19)20)12(8-11)14(18)16-9-10-4-2-3-5-10/h6-8,10,15H,2-5,9H2,1H3,(H,16,18).
What are the key properties of N-(cyclopentylmethyl)-5-(methylamino)-2-nitrobenzamide?
N-(cyclopentylmethyl)-5-(methylamino)-2-nitrobenzamide has a molecular weight of 277.32 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-5-(methylamino)-2-nitrobenzamide is sourced from PubChem (CID 62168648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).