1-[(5-amino-2-chlorophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide

C14H20ClN3O — CID 106317846

IUPAC1-[(5-amino-2-chlorophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(Cc2cc(N)ccc2Cl)C1
InChIInChI=1S/C14H20ClN3O/c1-14(13(19)17-2)5-6-18(9-14)8-10-7-11(16)3-4-12(10)15/h3-4,7H,5-6,8-9,16H2,1-2H3,(H,17,19)
InChIKeyYKEBOFADPDSKRA-UHFFFAOYSA-N
MW281.79 g/mol
LogP1.88
Rot. Bonds3

About 1-[(5-amino-2-chlorophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide

1-[(5-amino-2-chlorophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 106317846) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 1-[(5-amino-2-chlorophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[(5-amino-2-chlorophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID106317846
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name1-[(5-amino-2-chlorophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(Cc2cc(N)ccc2Cl)C1
InChIInChI=1S/C14H20ClN3O/c1-14(13(19)17-2)5-6-18(9-14)8-10-7-11(16)3-4-12(10)15/h3-4,7H,5-6,8-9,16H2,1-2H3,(H,17,19)
InChIKeyYKEBOFADPDSKRA-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
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-amino-3-nitrophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106321592
1-[[4-(hydrazinecarbonyl)phenyl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106322065
5-methyl-4-[[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]methyl]furan-2-carboxylic acid
CID 106318975
1-[(2-hydroxy-3-methylphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106151899
1-[(3-amino-5-methoxyphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317866
1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106321611
1-[(2-bromo-5-methoxyphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106151916
1-[(4-cyano-2-methylphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106150947
3-[[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]methyl]benzoic acid
CID 106318978
1-[(5-chloropyrazin-2-yl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 114172807
1-[[3-(aminomethyl)-5-fluorophenyl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317892
2-fluoro-4-[[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]methyl]benzoic acid
CID 106318976

Frequently Asked Questions

What is the IUPAC name of 1-[(5-amino-2-chlorophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[(5-amino-2-chlorophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide (CID 106317846) is 1-[(5-amino-2-chlorophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[(5-amino-2-chlorophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[(5-amino-2-chlorophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(Cc2cc(N)ccc2Cl)C1.
What is the InChIKey of 1-[(5-amino-2-chlorophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is YKEBOFADPDSKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-14(13(19)17-2)5-6-18(9-14)8-10-7-11(16)3-4-12(10)15/h3-4,7H,5-6,8-9,16H2,1-2H3,(H,17,19).
What are the key properties of 1-[(5-amino-2-chlorophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide?
1-[(5-amino-2-chlorophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 281.79 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-amino-2-chlorophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106317846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).