1-(3-amino-4,5-dichlorobenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide

C14H17Cl2N3O2 — CID 106317423

IUPAC1-(3-amino-4,5-dichlorobenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(C(=O)c2cc(N)c(Cl)c(Cl)c2)C1
InChIInChI=1S/C14H17Cl2N3O2/c1-14(13(21)18-2)3-4-19(7-14)12(20)8-5-9(15)11(16)10(17)6-8/h5-6H,3-4,7,17H2,1-2H3,(H,18,21)
InChIKeyGFYVKUAZIDUOPE-UHFFFAOYSA-N
MW330.22 g/mol
LogP2.17
Rot. Bonds2

About 1-(3-amino-4,5-dichlorobenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide

1-(3-amino-4,5-dichlorobenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 106317423) has the molecular formula C14H17Cl2N3O2 and a molecular weight of 330.22 g/mol. Its IUPAC name is 1-(3-amino-4,5-dichlorobenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-amino-4,5-dichlorobenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID106317423
Molecular FormulaC14H17Cl2N3O2
Molecular Weight330.22 g/mol
Exact Mass329.07
IUPAC Name1-(3-amino-4,5-dichlorobenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(C(=O)c2cc(N)c(Cl)c(Cl)c2)C1
InChIInChI=1S/C14H17Cl2N3O2/c1-14(13(21)18-2)3-4-19(7-14)12(20)8-5-9(15)11(16)10(17)6-8/h5-6H,3-4,7,17H2,1-2H3,(H,18,21)
InChIKeyGFYVKUAZIDUOPE-UHFFFAOYSA-N
XLogP2.17
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 52.17
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

1-(2,6-dichloropyridine-4-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106151782
1-(4-amino-3-methylbenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317442
1-[4-(chloromethyl)benzoyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317992
1-(3-amino-2-bromobenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317517
1-(3-cyanobenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106151815
1-(4-amino-1-ethylpyrrole-2-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317446
1-(2,4-dihydroxybenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106151768
3-amino-4-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]benzoic acid
CID 106321390
1-(4-carbamothioyl-2-chlorophenyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318487
(4-amino-3,5-dichlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 82833580
1-(2-aminoacetyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318155
1-[2-(2-aminophenyl)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317438

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4,5-dichlorobenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-amino-4,5-dichlorobenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide (CID 106317423) is 1-(3-amino-4,5-dichlorobenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-amino-4,5-dichlorobenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-amino-4,5-dichlorobenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(C(=O)c2cc(N)c(Cl)c(Cl)c2)C1.
What is the InChIKey of 1-(3-amino-4,5-dichlorobenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is GFYVKUAZIDUOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3O2/c1-14(13(21)18-2)3-4-19(7-14)12(20)8-5-9(15)11(16)10(17)6-8/h5-6H,3-4,7,17H2,1-2H3,(H,18,21).
What are the key properties of 1-(3-amino-4,5-dichlorobenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide?
1-(3-amino-4,5-dichlorobenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 330.22 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4,5-dichlorobenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106317423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).