2-chloro-N-[(2-methylcyclopentyl)methyl]-4-nitrobenzamide

C14H17ClN2O3 — CID 107417795

IUPAC2-chloro-N-[(2-methylcyclopentyl)methyl]-4-nitrobenzamide
SMILESCC1CCCC1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C14H17ClN2O3/c1-9-3-2-4-10(9)8-16-14(18)12-6-5-11(17(19)20)7-13(12)15/h5-7,9-10H,2-4,8H2,1H3,(H,16,18)
InChIKeyNKMLQALRAUPEBU-UHFFFAOYSA-N
MW296.75 g/mol
LogP3.41
Rot. Bonds4

About 2-chloro-N-[(2-methylcyclopentyl)methyl]-4-nitrobenzamide

2-chloro-N-[(2-methylcyclopentyl)methyl]-4-nitrobenzamide (PubChem CID 107417795) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is 2-chloro-N-[(2-methylcyclopentyl)methyl]-4-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-[(2-methylcyclopentyl)methyl]-4-nitrobenzamide
PubChem CID107417795
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name2-chloro-N-[(2-methylcyclopentyl)methyl]-4-nitrobenzamide
SMILESCC1CCCC1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C14H17ClN2O3/c1-9-3-2-4-10(9)8-16-14(18)12-6-5-11(17(19)20)7-13(12)15/h5-7,9-10H,2-4,8H2,1H3,(H,16,18)
InChIKeyNKMLQALRAUPEBU-UHFFFAOYSA-N
XLogP3.41
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(methylamino)-N-[(2-methylcyclopentyl)methyl]-5-nitrobenzamide
CID 107420613
2-chloro-N-[(4-hydroxycyclohexyl)methyl]-4-nitrobenzamide
CID 106122720
2-chloro-5-hydroxy-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107418935
2-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-4-nitrobenzamide
CID 63737968
2-amino-5-chloro-N-[(2-methylcyclohexyl)methyl]benzamide
CID 55013606
2-chloro-N-[(1-methylcyclohexyl)methyl]-4-nitrobenzamide
CID 103753304
N-[2-(carbamoylamino)ethyl]-2-chloro-4-nitrobenzamide
CID 78993882
2-chloro-N-[2-(methylamino)ethyl]-4-nitrobenzamide
CID 119501030
N-[(2-chlorocyclohexyl)methyl]-2-methyl-5-nitrobenzamide
CID 114301566
N-[(2-bromocyclopentyl)methyl]-2-fluoro-4-nitrobenzamide
CID 114313844
2-chloro-N-(4-methylcyclohexyl)-4-nitrobenzamide
CID 4611426
2-hydroxy-N-[(2-methylcyclohexyl)methyl]-3-nitrobenzamide
CID 102741652

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-methylcyclopentyl)methyl]-4-nitrobenzamide?
The IUPAC name of 2-chloro-N-[(2-methylcyclopentyl)methyl]-4-nitrobenzamide (CID 107417795) is 2-chloro-N-[(2-methylcyclopentyl)methyl]-4-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-[(2-methylcyclopentyl)methyl]-4-nitrobenzamide?
The canonical SMILES for 2-chloro-N-[(2-methylcyclopentyl)methyl]-4-nitrobenzamide is CC1CCCC1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-chloro-N-[(2-methylcyclopentyl)methyl]-4-nitrobenzamide?
The InChIKey is NKMLQALRAUPEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-9-3-2-4-10(9)8-16-14(18)12-6-5-11(17(19)20)7-13(12)15/h5-7,9-10H,2-4,8H2,1H3,(H,16,18).
What are the key properties of 2-chloro-N-[(2-methylcyclopentyl)methyl]-4-nitrobenzamide?
2-chloro-N-[(2-methylcyclopentyl)methyl]-4-nitrobenzamide has a molecular weight of 296.75 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-methylcyclopentyl)methyl]-4-nitrobenzamide is sourced from PubChem (CID 107417795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).