N-(2-chloro-5-nitrophenyl)-4-(piperidin-1-ylmethyl)benzamide

C19H20ClN3O3 — CID 19062952

IUPACN-(2-chloro-5-nitrophenyl)-4-(piperidin-1-ylmethyl)benzamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C19H20ClN3O3/c20-17-9-8-16(23(25)26)12-18(17)21-19(24)15-6-4-14(5-7-15)13-22-10-2-1-3-11-22/h4-9,12H,1-3,10-11,13H2,(H,21,24)
InChIKeyLNMRFLROYQAMCA-UHFFFAOYSA-N
MW373.84 g/mol
LogP4.49
Rot. Bonds5

About N-(2-chloro-5-nitrophenyl)-4-(piperidin-1-ylmethyl)benzamide

N-(2-chloro-5-nitrophenyl)-4-(piperidin-1-ylmethyl)benzamide (PubChem CID 19062952) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is N-(2-chloro-5-nitrophenyl)-4-(piperidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(2-chloro-5-nitrophenyl)-4-(piperidin-1-ylmethyl)benzamide
PubChem CID19062952
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC NameN-(2-chloro-5-nitrophenyl)-4-(piperidin-1-ylmethyl)benzamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C19H20ClN3O3/c20-17-9-8-16(23(25)26)12-18(17)21-19(24)15-6-4-14(5-7-15)13-22-10-2-1-3-11-22/h4-9,12H,1-3,10-11,13H2,(H,21,24)
InChIKeyLNMRFLROYQAMCA-UHFFFAOYSA-N
XLogP4.49
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 54.49
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'}

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Related Compounds

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CID 38104970
N-(2-chloro-5-nitrophenyl)-4-ethylbenzamide
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4-chloro-N-(2-chloro-5-nitrophenyl)benzamide
CID 720125
N-(2-chloro-5-nitrophenyl)-4-phenylbenzamide
CID 5222418
4-(azepan-1-ylmethyl)-N-(2-methyl-3-nitrophenyl)benzamide
CID 43924817
N-(2-chloro-5-nitrophenyl)-3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide
CID 43926137
3-amino-4-chloro-N-(2-chloro-5-nitrophenyl)benzamide
CID 43708411
N-(2,5-dichlorophenyl)-4-[(4-nitropyrazol-1-yl)methyl]benzamide
CID 1225788
1-[(2-chloro-5-nitrophenyl)methyl]piperidine
CID 43350269
N-(2-chloro-5-nitrophenyl)-3,4-dimethylbenzamide
CID 867680
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-iodo-4-nitrobenzamide
CID 60622884
N-(5-bromo-2-chlorophenyl)-4-nitrobenzamide
CID 62908932

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-nitrophenyl)-4-(piperidin-1-ylmethyl)benzamide?
The IUPAC name of N-(2-chloro-5-nitrophenyl)-4-(piperidin-1-ylmethyl)benzamide (CID 19062952) is N-(2-chloro-5-nitrophenyl)-4-(piperidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-(2-chloro-5-nitrophenyl)-4-(piperidin-1-ylmethyl)benzamide?
The canonical SMILES for N-(2-chloro-5-nitrophenyl)-4-(piperidin-1-ylmethyl)benzamide is O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(CN2CCCCC2)cc1.
What is the InChIKey of N-(2-chloro-5-nitrophenyl)-4-(piperidin-1-ylmethyl)benzamide?
The InChIKey is LNMRFLROYQAMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c20-17-9-8-16(23(25)26)12-18(17)21-19(24)15-6-4-14(5-7-15)13-22-10-2-1-3-11-22/h4-9,12H,1-3,10-11,13H2,(H,21,24).
What are the key properties of N-(2-chloro-5-nitrophenyl)-4-(piperidin-1-ylmethyl)benzamide?
N-(2-chloro-5-nitrophenyl)-4-(piperidin-1-ylmethyl)benzamide has a molecular weight of 373.84 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-nitrophenyl)-4-(piperidin-1-ylmethyl)benzamide is sourced from PubChem (CID 19062952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).