N-(4-amino-2,6-dichlorophenyl)-2-(2-oxopiperidin-1-yl)acetamide

C13H15Cl2N3O2 — CID 29294980

IUPACN-(4-amino-2,6-dichlorophenyl)-2-(2-oxopiperidin-1-yl)acetamide
SMILESNc1cc(Cl)c(NC(=O)CN2CCCCC2=O)c(Cl)c1
InChIInChI=1S/C13H15Cl2N3O2/c14-9-5-8(16)6-10(15)13(9)17-11(19)7-18-4-2-1-3-12(18)20/h5-6H,1-4,7,16H2,(H,17,19)
InChIKeySHNKNSPYZBRFIF-UHFFFAOYSA-N
MW316.19 g/mol
LogP2.53
Rot. Bonds3

About N-(4-amino-2,6-dichlorophenyl)-2-(2-oxopiperidin-1-yl)acetamide

N-(4-amino-2,6-dichlorophenyl)-2-(2-oxopiperidin-1-yl)acetamide (PubChem CID 29294980) has the molecular formula C13H15Cl2N3O2 and a molecular weight of 316.19 g/mol. Its IUPAC name is N-(4-amino-2,6-dichlorophenyl)-2-(2-oxopiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-amino-2,6-dichlorophenyl)-2-(2-oxopiperidin-1-yl)acetamide
PubChem CID29294980
Molecular FormulaC13H15Cl2N3O2
Molecular Weight316.19 g/mol
Exact Mass315.05
IUPAC NameN-(4-amino-2,6-dichlorophenyl)-2-(2-oxopiperidin-1-yl)acetamide
SMILESNc1cc(Cl)c(NC(=O)CN2CCCCC2=O)c(Cl)c1
InChIInChI=1S/C13H15Cl2N3O2/c14-9-5-8(16)6-10(15)13(9)17-11(19)7-18-4-2-1-3-12(18)20/h5-6H,1-4,7,16H2,(H,17,19)
InChIKeySHNKNSPYZBRFIF-UHFFFAOYSA-N
XLogP2.53
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dichlorophenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 110689887
3,5-dichloro-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoic acid
CID 43153756
N-(4-amino-2,6-dichlorophenyl)-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
CID 62491302
N-(2-chloro-4-fluorophenyl)-2-(2-oxoazepan-1-yl)acetamide
CID 4787566
N-(4-amino-2-bromophenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 43376282
N-(2-amino-5-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 16794654
N-(2-amino-6-methylphenyl)-2-(2-oxoazepan-1-yl)acetamide
CID 43376211
N-(4-chloro-2-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 86930614
N-(4-amino-2,6-dichlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106668030
4-[[2-(2-oxopiperidin-1-yl)acetyl]amino]benzamide
CID 110689860
N-(3-hydroxyphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 28789155
N-(4-amino-2,6-dichlorophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 55131355

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,6-dichlorophenyl)-2-(2-oxopiperidin-1-yl)acetamide?
The IUPAC name of N-(4-amino-2,6-dichlorophenyl)-2-(2-oxopiperidin-1-yl)acetamide (CID 29294980) is N-(4-amino-2,6-dichlorophenyl)-2-(2-oxopiperidin-1-yl)acetamide.
What is the SMILES notation for N-(4-amino-2,6-dichlorophenyl)-2-(2-oxopiperidin-1-yl)acetamide?
The canonical SMILES for N-(4-amino-2,6-dichlorophenyl)-2-(2-oxopiperidin-1-yl)acetamide is Nc1cc(Cl)c(NC(=O)CN2CCCCC2=O)c(Cl)c1.
What is the InChIKey of N-(4-amino-2,6-dichlorophenyl)-2-(2-oxopiperidin-1-yl)acetamide?
The InChIKey is SHNKNSPYZBRFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O2/c14-9-5-8(16)6-10(15)13(9)17-11(19)7-18-4-2-1-3-12(18)20/h5-6H,1-4,7,16H2,(H,17,19).
What are the key properties of N-(4-amino-2,6-dichlorophenyl)-2-(2-oxopiperidin-1-yl)acetamide?
N-(4-amino-2,6-dichlorophenyl)-2-(2-oxopiperidin-1-yl)acetamide has a molecular weight of 316.19 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,6-dichlorophenyl)-2-(2-oxopiperidin-1-yl)acetamide is sourced from PubChem (CID 29294980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).