N-(4-amino-2,6-dichlorophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide

C12H15Cl2N3O2 — CID 55131355

IUPACN-(4-amino-2,6-dichlorophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
SMILESNc1cc(Cl)c(NC(=O)CN2CCC(O)C2)c(Cl)c1
InChIInChI=1S/C12H15Cl2N3O2/c13-9-3-7(15)4-10(14)12(9)16-11(19)6-17-2-1-8(18)5-17/h3-4,8,18H,1-2,5-6,15H2,(H,16,19)
InChIKeyOAZLQRBDTLRBQB-UHFFFAOYSA-N
MW304.18 g/mol
LogP1.58
Rot. Bonds3

About N-(4-amino-2,6-dichlorophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide

N-(4-amino-2,6-dichlorophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide (PubChem CID 55131355) has the molecular formula C12H15Cl2N3O2 and a molecular weight of 304.18 g/mol. Its IUPAC name is N-(4-amino-2,6-dichlorophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-amino-2,6-dichlorophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
PubChem CID55131355
Molecular FormulaC12H15Cl2N3O2
Molecular Weight304.18 g/mol
Exact Mass303.05
IUPAC NameN-(4-amino-2,6-dichlorophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
SMILESNc1cc(Cl)c(NC(=O)CN2CCC(O)C2)c(Cl)c1
InChIInChI=1S/C12H15Cl2N3O2/c13-9-3-7(15)4-10(14)12(9)16-11(19)6-17-2-1-8(18)5-17/h3-4,8,18H,1-2,5-6,15H2,(H,16,19)
InChIKeyOAZLQRBDTLRBQB-UHFFFAOYSA-N
XLogP1.58
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 51.58
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-(4-amino-2,6-dichlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106668030
N-(2-amino-4,6-dichlorophenyl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 29031982
N-(4-amino-2-chlorophenyl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 16791482
2-(3-hydroxypyrrolidin-1-yl)-N-(2,4,6-triiodophenyl)acetamide
CID 63468164
N-(2,6-dibromo-4-methylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78962201
N-(3-chloro-4-methoxyphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78963334
N-(5-chloro-2-pyridinyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 111332524
N-(5-amino-2-methoxyphenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62918714
2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide
CID 60642327
N-(4-bromophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62916119
N-(4-fluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 55130773
N-(4-amino-2,6-dichlorophenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 29294980

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,6-dichlorophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide?
The IUPAC name of N-(4-amino-2,6-dichlorophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide (CID 55131355) is N-(4-amino-2,6-dichlorophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(4-amino-2,6-dichlorophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(4-amino-2,6-dichlorophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide is Nc1cc(Cl)c(NC(=O)CN2CCC(O)C2)c(Cl)c1.
What is the InChIKey of N-(4-amino-2,6-dichlorophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide?
The InChIKey is OAZLQRBDTLRBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N3O2/c13-9-3-7(15)4-10(14)12(9)16-11(19)6-17-2-1-8(18)5-17/h3-4,8,18H,1-2,5-6,15H2,(H,16,19).
What are the key properties of N-(4-amino-2,6-dichlorophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide?
N-(4-amino-2,6-dichlorophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide has a molecular weight of 304.18 g/mol, XLogP of 1.58, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,6-dichlorophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide is sourced from PubChem (CID 55131355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).