N-(4-amino-2-chlorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)acetamide

C14H20ClN3O3 — CID 103531130

IUPACN-(4-amino-2-chlorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)acetamide
SMILESCOC1CN(CC(=O)Nc2ccc(N)cc2Cl)CC1OC
InChIInChI=1S/C14H20ClN3O3/c1-20-12-6-18(7-13(12)21-2)8-14(19)17-11-4-3-9(16)5-10(11)15/h3-5,12-13H,6-8,16H2,1-2H3,(H,17,19)
InChIKeyDSTBVMVIQDOKPV-UHFFFAOYSA-N
MW313.79 g/mol
LogP1.21
Rot. Bonds5

About N-(4-amino-2-chlorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)acetamide

N-(4-amino-2-chlorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)acetamide (PubChem CID 103531130) has the molecular formula C14H20ClN3O3 and a molecular weight of 313.79 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)acetamide
PubChem CID103531130
Molecular FormulaC14H20ClN3O3
Molecular Weight313.79 g/mol
Exact Mass313.12
IUPAC NameN-(4-amino-2-chlorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)acetamide
SMILESCOC1CN(CC(=O)Nc2ccc(N)cc2Cl)CC1OC
InChIInChI=1S/C14H20ClN3O3/c1-20-12-6-18(7-13(12)21-2)8-14(19)17-11-4-3-9(16)5-10(11)15/h3-5,12-13H,6-8,16H2,1-2H3,(H,17,19)
InChIKeyDSTBVMVIQDOKPV-UHFFFAOYSA-N
XLogP1.21
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-chlorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)acetamide
CID 114537216
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(4-amino-2-chlorophenyl)acetamide
CID 115559008
N-(4-amino-2-chlorophenyl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 16791482
N-(4-amino-2-chlorophenyl)-2-(4-ethylpiperidin-1-yl)acetamide
CID 61421322
1-[2-(4-amino-2-chloroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 43082326
N-(4-amino-2-methylphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)acetamide
CID 79181994
N-(4-amino-2-chlorophenyl)-2-(dimethylamino)acetamide;N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylacetamide
CID 162243839
N-(4-amino-2-chlorophenyl)-2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)acetamide
CID 64837547
N-(4-amino-2-chlorophenyl)-2-(2-methylpyrrolidin-1-yl)acetamide
CID 54882152
N-(5-amino-2-methylphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)acetamide
CID 79189234
N-(4-amino-2-chlorophenyl)-4-methylpentanamide
CID 28776887
N-(4-amino-2-methoxyphenyl)-2-(3-methylpyrrolidin-1-yl)acetamide
CID 61223798

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)acetamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)acetamide (CID 103531130) is N-(4-amino-2-chlorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)acetamide is COC1CN(CC(=O)Nc2ccc(N)cc2Cl)CC1OC.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)acetamide?
The InChIKey is DSTBVMVIQDOKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O3/c1-20-12-6-18(7-13(12)21-2)8-14(19)17-11-4-3-9(16)5-10(11)15/h3-5,12-13H,6-8,16H2,1-2H3,(H,17,19).
What are the key properties of N-(4-amino-2-chlorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)acetamide?
N-(4-amino-2-chlorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)acetamide has a molecular weight of 313.79 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)acetamide is sourced from PubChem (CID 103531130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).