N-(2-amino-4,6-dichlorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide

C14H19Cl2N3O2 — CID 61406947

IUPACN-(2-amino-4,6-dichlorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
SMILESNc1cc(Cl)cc(Cl)c1NC(=O)CN1CCCCC1CO
InChIInChI=1S/C14H19Cl2N3O2/c15-9-5-11(16)14(12(17)6-9)18-13(21)7-19-4-2-1-3-10(19)8-20/h5-6,10,20H,1-4,7-8,17H2,(H,18,21)
InChIKeyVCTURAFBDTUOLW-UHFFFAOYSA-N
MW332.23 g/mol
LogP2.36
Rot. Bonds4

About N-(2-amino-4,6-dichlorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide

N-(2-amino-4,6-dichlorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide (PubChem CID 61406947) has the molecular formula C14H19Cl2N3O2 and a molecular weight of 332.23 g/mol. Its IUPAC name is N-(2-amino-4,6-dichlorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-amino-4,6-dichlorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
PubChem CID61406947
Molecular FormulaC14H19Cl2N3O2
Molecular Weight332.23 g/mol
Exact Mass331.09
IUPAC NameN-(2-amino-4,6-dichlorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
SMILESNc1cc(Cl)cc(Cl)c1NC(=O)CN1CCCCC1CO
InChIInChI=1S/C14H19Cl2N3O2/c15-9-5-11(16)14(12(17)6-9)18-13(21)7-19-4-2-1-3-10(19)8-20/h5-6,10,20H,1-4,7-8,17H2,(H,18,21)
InChIKeyVCTURAFBDTUOLW-UHFFFAOYSA-N
XLogP2.36
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4,6-dichlorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 43590065
N-(2,5-dichlorophenyl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide
CID 116637787
N-(2-amino-4,6-dichlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)acetamide
CID 62331165
N-(2-amino-4,6-dichlorophenyl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 29031982
N-(4-amino-2-chlorophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 61407752
N-(2,6-dimethylphenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684578
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2,4,6-triiodophenyl)acetamide
CID 79028646
N-(4-bromo-2-chlorophenyl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide
CID 116637305
N-(3,4-dichlorophenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942370
N-(3,4-difluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684646
N-(2-amino-4,6-dichlorophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide
CID 43619929
N-(5-amino-2-methylphenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 61406897

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-dichlorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(2-amino-4,6-dichlorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide (CID 61406947) is N-(2-amino-4,6-dichlorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(2-amino-4,6-dichlorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(2-amino-4,6-dichlorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide is Nc1cc(Cl)cc(Cl)c1NC(=O)CN1CCCCC1CO.
What is the InChIKey of N-(2-amino-4,6-dichlorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide?
The InChIKey is VCTURAFBDTUOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O2/c15-9-5-11(16)14(12(17)6-9)18-13(21)7-19-4-2-1-3-10(19)8-20/h5-6,10,20H,1-4,7-8,17H2,(H,18,21).
What are the key properties of N-(2-amino-4,6-dichlorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide?
N-(2-amino-4,6-dichlorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide has a molecular weight of 332.23 g/mol, XLogP of 2.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,6-dichlorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 61406947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).