N-butyl-4-chloro-2-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide

C20H30ClN3O3 — CID 56535329

IUPACN-butyl-4-chloro-2-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
SMILESCCCCN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C20H30ClN3O3/c1-6-7-10-23(15-12-19(2,3)22-20(4,5)13-15)18(25)16-9-8-14(21)11-17(16)24(26)27/h8-9,11,15,22H,6-7,10,12-13H2,1-5H3
InChIKeyKNXYVLYWVUISOJ-UHFFFAOYSA-N
MW395.93 g/mol
LogP4.80
Rot. Bonds6

About N-butyl-4-chloro-2-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide

N-butyl-4-chloro-2-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (PubChem CID 56535329) has the molecular formula C20H30ClN3O3 and a molecular weight of 395.93 g/mol. Its IUPAC name is N-butyl-4-chloro-2-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.

Molecular Properties

Compound NameN-butyl-4-chloro-2-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
PubChem CID56535329
Molecular FormulaC20H30ClN3O3
Molecular Weight395.93 g/mol
Exact Mass395.20
IUPAC NameN-butyl-4-chloro-2-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
SMILESCCCCN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C20H30ClN3O3/c1-6-7-10-23(15-12-19(2,3)22-20(4,5)13-15)18(25)16-9-8-14(21)11-17(16)24(26)27/h8-9,11,15,22H,6-7,10,12-13H2,1-5H3
InChIKeyKNXYVLYWVUISOJ-UHFFFAOYSA-N
XLogP4.80
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.93
LogP ≤ 54.80
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

4-chloro-2-nitro-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530295
N-butyl-4-chloro-N-(2-chloroethyl)-2-nitrobenzamide
CID 63391034
2-[(4-chloro-2-nitrobenzoyl)-cyclopropylamino]acetic acid
CID 60826097
4-chloro-N-[2-(diethylamino)ethyl]-N-(1,1-dioxothiolan-3-yl)-2-nitrobenzamide
CID 112795894
4-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-nitrobenzamide
CID 9298244
4-chloro-N-(3-hydroxybutyl)-N-methyl-2-nitrobenzamide
CID 111695702
3-[(4-chloro-2-nitrobenzoyl)-ethylamino]propanoic acid
CID 61006681
4-chloro-N-(5-chloropentyl)-N-methyl-2-nitrobenzamide
CID 107205659
N-(3-chloropropyl)-N-cyclobutyl-4-fluoro-2-nitrobenzamide
CID 102871842
3-[(4-chloro-2-nitrobenzoyl)-methylamino]propanoic acid
CID 60989625
2-[(4-chloro-2-nitrobenzoyl)-ethylamino]acetic acid
CID 54900924
bis(4-chloro-2-nitrophenyl)methanone
CID 13462792

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-chloro-2-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The IUPAC name of N-butyl-4-chloro-2-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (CID 56535329) is N-butyl-4-chloro-2-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.
What is the SMILES notation for N-butyl-4-chloro-2-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The canonical SMILES for N-butyl-4-chloro-2-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is CCCCN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of N-butyl-4-chloro-2-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The InChIKey is KNXYVLYWVUISOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClN3O3/c1-6-7-10-23(15-12-19(2,3)22-20(4,5)13-15)18(25)16-9-8-14(21)11-17(16)24(26)27/h8-9,11,15,22H,6-7,10,12-13H2,1-5H3.
What are the key properties of N-butyl-4-chloro-2-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
N-butyl-4-chloro-2-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide has a molecular weight of 395.93 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-chloro-2-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is sourced from PubChem (CID 56535329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).