2-chloro-N-[(1-cyclopentylpiperidin-4-yl)methyl]-5-nitrobenzamide

C18H24ClN3O3 — CID 16895615

IUPAC2-chloro-N-[(1-cyclopentylpiperidin-4-yl)methyl]-5-nitrobenzamide
SMILESO=C(NCC1CCN(C2CCCC2)CC1)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C18H24ClN3O3/c19-17-6-5-15(22(24)25)11-16(17)18(23)20-12-13-7-9-21(10-8-13)14-3-1-2-4-14/h5-6,11,13-14H,1-4,7-10,12H2,(H,20,23)
InChIKeyFJDPLDQUQZBQPD-UHFFFAOYSA-N
MW365.86 g/mol
LogP3.63
Rot. Bonds5

About 2-chloro-N-[(1-cyclopentylpiperidin-4-yl)methyl]-5-nitrobenzamide

2-chloro-N-[(1-cyclopentylpiperidin-4-yl)methyl]-5-nitrobenzamide (PubChem CID 16895615) has the molecular formula C18H24ClN3O3 and a molecular weight of 365.86 g/mol. Its IUPAC name is 2-chloro-N-[(1-cyclopentylpiperidin-4-yl)methyl]-5-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-[(1-cyclopentylpiperidin-4-yl)methyl]-5-nitrobenzamide
PubChem CID16895615
Molecular FormulaC18H24ClN3O3
Molecular Weight365.86 g/mol
Exact Mass365.15
IUPAC Name2-chloro-N-[(1-cyclopentylpiperidin-4-yl)methyl]-5-nitrobenzamide
SMILESO=C(NCC1CCN(C2CCCC2)CC1)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C18H24ClN3O3/c19-17-6-5-15(22(24)25)11-16(17)18(23)20-12-13-7-9-21(10-8-13)14-3-1-2-4-14/h5-6,11,13-14H,1-4,7-10,12H2,(H,20,23)
InChIKeyFJDPLDQUQZBQPD-UHFFFAOYSA-N
XLogP3.63
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 53.63
H-Bond Donors ≤ 51
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'}

Analyze 2-chloro-N-[(1-cyclopentylpiperidin-4-yl)methyl]-5-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-5-nitro-N-(thian-4-ylmethyl)benzamide
CID 115625147
2-amino-N-(cyclohexylmethyl)-5-nitrobenzamide
CID 62154778
2-amino-N-(cyclobutylmethyl)-5-nitrobenzamide
CID 62061126
2-chloro-5-nitro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 62539858
2-chloro-N-[(4-hydroxycyclohexyl)methyl]-4-nitrobenzamide
CID 106122720
2-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-4-nitrobenzamide
CID 63737968
2-chloro-4-nitro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
CID 121108803
5-bromo-2-chloro-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]benzamide
CID 91814232
2-chloro-N-[3-(cyclopropylmethoxy)propyl]-5-nitrobenzamide
CID 60668843
2-chloro-N-[3-[(2-chloro-5-nitrobenzoyl)amino]propyl]-5-nitrobenzamide
CID 4119729
2-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]-5-nitrobenzamide
CID 62237807
2-chloro-N-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-5-nitrobenzamide
CID 16918405

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-cyclopentylpiperidin-4-yl)methyl]-5-nitrobenzamide?
The IUPAC name of 2-chloro-N-[(1-cyclopentylpiperidin-4-yl)methyl]-5-nitrobenzamide (CID 16895615) is 2-chloro-N-[(1-cyclopentylpiperidin-4-yl)methyl]-5-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-[(1-cyclopentylpiperidin-4-yl)methyl]-5-nitrobenzamide?
The canonical SMILES for 2-chloro-N-[(1-cyclopentylpiperidin-4-yl)methyl]-5-nitrobenzamide is O=C(NCC1CCN(C2CCCC2)CC1)c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 2-chloro-N-[(1-cyclopentylpiperidin-4-yl)methyl]-5-nitrobenzamide?
The InChIKey is FJDPLDQUQZBQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O3/c19-17-6-5-15(22(24)25)11-16(17)18(23)20-12-13-7-9-21(10-8-13)14-3-1-2-4-14/h5-6,11,13-14H,1-4,7-10,12H2,(H,20,23).
What are the key properties of 2-chloro-N-[(1-cyclopentylpiperidin-4-yl)methyl]-5-nitrobenzamide?
2-chloro-N-[(1-cyclopentylpiperidin-4-yl)methyl]-5-nitrobenzamide has a molecular weight of 365.86 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-cyclopentylpiperidin-4-yl)methyl]-5-nitrobenzamide is sourced from PubChem (CID 16895615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).