N-(3-chlorophenyl)-2-(2-methylpiperidin-1-yl)-5-nitrobenzamide

C19H20ClN3O3 — CID 2959335

IUPACN-(3-chlorophenyl)-2-(2-methylpiperidin-1-yl)-5-nitrobenzamide
SMILESCC1CCCCN1c1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C19H20ClN3O3/c1-13-5-2-3-10-22(13)18-9-8-16(23(25)26)12-17(18)19(24)21-15-7-4-6-14(20)11-15/h4,6-9,11-13H,2-3,5,10H2,1H3,(H,21,24)
InChIKeyKYGYQEISWHLEPH-UHFFFAOYSA-N
MW373.84 g/mol
LogP4.88
Rot. Bonds4

About N-(3-chlorophenyl)-2-(2-methylpiperidin-1-yl)-5-nitrobenzamide

N-(3-chlorophenyl)-2-(2-methylpiperidin-1-yl)-5-nitrobenzamide (PubChem CID 2959335) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(2-methylpiperidin-1-yl)-5-nitrobenzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(2-methylpiperidin-1-yl)-5-nitrobenzamide
PubChem CID2959335
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC NameN-(3-chlorophenyl)-2-(2-methylpiperidin-1-yl)-5-nitrobenzamide
SMILESCC1CCCCN1c1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C19H20ClN3O3/c1-13-5-2-3-10-22(13)18-9-8-16(23(25)26)12-17(18)19(24)21-15-7-4-6-14(20)11-15/h4,6-9,11-13H,2-3,5,10H2,1H3,(H,21,24)
InChIKeyKYGYQEISWHLEPH-UHFFFAOYSA-N
XLogP4.88
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 54.88
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

N-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide
CID 2906813
N-(3-methylsulfanylphenyl)-5-nitro-2-pyrrolidin-1-ylbenzamide
CID 9068210
2-(azepan-1-yl)-N-(3-methylphenyl)-5-nitrobenzamide
CID 2948692
N-(3-chloro-4-fluorophenyl)-5-nitro-2-pyrrolidin-1-ylbenzamide
CID 9208214
N-[3-(ethylcarbamoyl)phenyl]-5-nitro-2-pyrrolidin-1-ylbenzamide
CID 51150163
N-[3-(dimethylcarbamoyl)phenyl]-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide
CID 55529341
2-[(3-chlorophenyl)carbamoylamino]-5-nitrobenzoic acid
CID 16778187
N-(3-chlorophenyl)-1-(4-nitrophenyl)sulfonylpiperidine-2-carboxamide
CID 42949023
methyl 2-chloro-5-[(5-nitro-2-piperidin-1-ylbenzoyl)amino]benzoate
CID 34267022
N-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 23095276
N-naphthalen-2-yl-5-nitro-2-pyrrolidin-1-ylbenzamide
CID 9068527
1-[3-fluoro-4-[4-[2-(2-methylpiperidin-1-yl)-5-nitrobenzoyl]piperazin-1-yl]phenyl]ethanone
CID 11259908

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(2-methylpiperidin-1-yl)-5-nitrobenzamide?
The IUPAC name of N-(3-chlorophenyl)-2-(2-methylpiperidin-1-yl)-5-nitrobenzamide (CID 2959335) is N-(3-chlorophenyl)-2-(2-methylpiperidin-1-yl)-5-nitrobenzamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(2-methylpiperidin-1-yl)-5-nitrobenzamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(2-methylpiperidin-1-yl)-5-nitrobenzamide is CC1CCCCN1c1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-(2-methylpiperidin-1-yl)-5-nitrobenzamide?
The InChIKey is KYGYQEISWHLEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c1-13-5-2-3-10-22(13)18-9-8-16(23(25)26)12-17(18)19(24)21-15-7-4-6-14(20)11-15/h4,6-9,11-13H,2-3,5,10H2,1H3,(H,21,24).
What are the key properties of N-(3-chlorophenyl)-2-(2-methylpiperidin-1-yl)-5-nitrobenzamide?
N-(3-chlorophenyl)-2-(2-methylpiperidin-1-yl)-5-nitrobenzamide has a molecular weight of 373.84 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(2-methylpiperidin-1-yl)-5-nitrobenzamide is sourced from PubChem (CID 2959335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).