N-(5-amino-2-chlorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)acetamide

C14H20ClN3O — CID 63216260

IUPACN-(5-amino-2-chlorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)acetamide
SMILESCC1(C)CCCN1CC(=O)Nc1cc(N)ccc1Cl
InChIInChI=1S/C14H20ClN3O/c1-14(2)6-3-7-18(14)9-13(19)17-12-8-10(16)4-5-11(12)15/h4-5,8H,3,6-7,9,16H2,1-2H3,(H,17,19)
InChIKeyNKSDVHTZGXHYPX-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.74
Rot. Bonds3

About N-(5-amino-2-chlorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)acetamide

N-(5-amino-2-chlorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)acetamide (PubChem CID 63216260) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is N-(5-amino-2-chlorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-amino-2-chlorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)acetamide
PubChem CID63216260
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC NameN-(5-amino-2-chlorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)acetamide
SMILESCC1(C)CCCN1CC(=O)Nc1cc(N)ccc1Cl
InChIInChI=1S/C14H20ClN3O/c1-14(2)6-3-7-18(14)9-13(19)17-12-8-10(16)4-5-11(12)15/h4-5,8H,3,6-7,9,16H2,1-2H3,(H,17,19)
InChIKeyNKSDVHTZGXHYPX-UHFFFAOYSA-N
XLogP2.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.74
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

4-chloro-3-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]benzoic acid
CID 63219604
N-(4-amino-2-methylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)acetamide
CID 63216439
N-(5-amino-2-chlorophenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)acetamide
CID 63156744
N-(5-amino-2-chlorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103355475
N-(5-amino-2-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)acetamide
CID 43592349
4-chloro-3-[(2,2-dimethylpyrrolidin-1-yl)methyl]aniline
CID 63215901
N-(5-amino-2-chlorophenyl)-2-(3-ethylpiperidin-1-yl)acetamide
CID 43584042
N-(5-amino-2-chlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)acetamide
CID 62331552
1-[2-(5-amino-2-chloroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 43375570
N-(5-amino-2-chlorophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 61226125
N-(5-amino-2-chlorophenyl)-2-cyclohexylacetamide
CID 43548756
N-(5-amino-2-chlorophenyl)-2-[cycloheptyl(methyl)amino]acetamide
CID 43613723

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-chlorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)acetamide?
The IUPAC name of N-(5-amino-2-chlorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)acetamide (CID 63216260) is N-(5-amino-2-chlorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(5-amino-2-chlorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(5-amino-2-chlorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)acetamide is CC1(C)CCCN1CC(=O)Nc1cc(N)ccc1Cl.
What is the InChIKey of N-(5-amino-2-chlorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)acetamide?
The InChIKey is NKSDVHTZGXHYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-14(2)6-3-7-18(14)9-13(19)17-12-8-10(16)4-5-11(12)15/h4-5,8H,3,6-7,9,16H2,1-2H3,(H,17,19).
What are the key properties of N-(5-amino-2-chlorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)acetamide?
N-(5-amino-2-chlorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)acetamide has a molecular weight of 281.79 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-chlorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)acetamide is sourced from PubChem (CID 63216260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).