N-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide

C19H20ClN3O3 — CID 2906813

IUPACN-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide
SMILESCC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C19H20ClN3O3/c1-13-7-9-22(10-8-13)18-6-5-16(23(25)26)12-17(18)19(24)21-15-4-2-3-14(20)11-15/h2-6,11-13H,7-10H2,1H3,(H,21,24)
InChIKeyJMKZNKFGBFUXTO-UHFFFAOYSA-N
MW373.84 g/mol
LogP4.74
Rot. Bonds4

About N-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide

N-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide (PubChem CID 2906813) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide
PubChem CID2906813
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC NameN-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide
SMILESCC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C19H20ClN3O3/c1-13-7-9-22(10-8-13)18-6-5-16(23(25)26)12-17(18)19(24)21-15-4-2-3-14(20)11-15/h2-6,11-13H,7-10H2,1H3,(H,21,24)
InChIKeyJMKZNKFGBFUXTO-UHFFFAOYSA-N
XLogP4.74
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 ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-(dimethylcarbamoyl)phenyl]-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide
CID 55529341
N-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 23095276
N-(3-chlorophenyl)-2-(2-methylpiperidin-1-yl)-5-nitrobenzamide
CID 2959335
N-(4-carbamoylphenyl)-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide
CID 26252989
N-(3,4-dimethoxyphenyl)-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide
CID 26364765
3-[[2-(4-methylpiperidin-1-yl)-5-nitrobenzoyl]carbamothioylamino]benzoic acid
CID 28688294
2-methyl-3-[[2-(4-methylpiperidin-1-yl)-5-nitrobenzoyl]amino]benzoic acid
CID 28674359
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide
CID 38333011
N-(2,5-difluorophenyl)-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide
CID 26360859
N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide
CID 28674406
2-(azepan-1-yl)-N-(3-methylphenyl)-5-nitrobenzamide
CID 2948692
N-(2,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide
CID 9209368

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide?
The IUPAC name of N-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide (CID 2906813) is N-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide is CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2cccc(Cl)c2)CC1.
What is the InChIKey of N-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide?
The InChIKey is JMKZNKFGBFUXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c1-13-7-9-22(10-8-13)18-6-5-16(23(25)26)12-17(18)19(24)21-15-4-2-3-14(20)11-15/h2-6,11-13H,7-10H2,1H3,(H,21,24).
What are the key properties of N-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide?
N-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide has a molecular weight of 373.84 g/mol, XLogP of 4.74, 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-(4-methylpiperidin-1-yl)-5-nitrobenzamide is sourced from PubChem (CID 2906813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).