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

C16H24ClN3O — CID 63110103

IUPAC2-amino-4-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
SMILESCC1(C)CC(NC(=O)c2ccc(Cl)cc2N)CC(C)(C)N1
InChIInChI=1S/C16H24ClN3O/c1-15(2)8-11(9-16(3,4)20-15)19-14(21)12-6-5-10(17)7-13(12)18/h5-7,11,20H,8-9,18H2,1-4H3,(H,19,21)
InChIKeyIUWGHEALNBKBNY-UHFFFAOYSA-N
MW309.84 g/mol
LogP2.96
Rot. Bonds2

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

2-amino-4-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (PubChem CID 63110103) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 2-amino-4-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
PubChem CID63110103
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name2-amino-4-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
SMILESCC1(C)CC(NC(=O)c2ccc(Cl)cc2N)CC(C)(C)N1
InChIInChI=1S/C16H24ClN3O/c1-15(2)8-11(9-16(3,4)20-15)19-14(21)12-6-5-10(17)7-13(12)18/h5-7,11,20H,8-9,18H2,1-4H3,(H,19,21)
InChIKeyIUWGHEALNBKBNY-UHFFFAOYSA-N
XLogP2.96
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 63110102
2-amino-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 61248466
5-chloro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 848313
2-amino-4-chloro-N-(3,5-dimethylcyclohexyl)benzamide
CID 64734584
2,4-difluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 37031230
2-amino-4-chloro-N-(1-methylpyrrolidin-3-yl)benzamide
CID 54949515
2-amino-4-chloro-N-(2-methylcyclopropyl)benzamide
CID 62398884
2-amino-4-chloro-N-[(1S,3S)-3-methylcyclohexyl]benzamide
CID 28690168
N'-(2,4-dichlorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 53326882
2-amino-4-chloro-N-(oxolan-3-yl)benzamide
CID 80717146
2,4,5-trimethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 1089289
2-amino-4-chloro-N-(3-ethylcyclohexyl)benzamide
CID 64743130

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The IUPAC name of 2-amino-4-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (CID 63110103) is 2-amino-4-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.
What is the SMILES notation for 2-amino-4-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The canonical SMILES for 2-amino-4-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is CC1(C)CC(NC(=O)c2ccc(Cl)cc2N)CC(C)(C)N1.
What is the InChIKey of 2-amino-4-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The InChIKey is IUWGHEALNBKBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-15(2)8-11(9-16(3,4)20-15)19-14(21)12-6-5-10(17)7-13(12)18/h5-7,11,20H,8-9,18H2,1-4H3,(H,19,21).
What are the key properties of 2-amino-4-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
2-amino-4-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide has a molecular weight of 309.84 g/mol, XLogP of 2.96, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is sourced from PubChem (CID 63110103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).