1-(2-amino-3-chlorophenyl)-N,N-dimethylpyrrolidine-2-carboxamide

C13H18ClN3O — CID 104834158

IUPAC1-(2-amino-3-chlorophenyl)-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1c1cccc(Cl)c1N
InChIInChI=1S/C13H18ClN3O/c1-16(2)13(18)11-7-4-8-17(11)10-6-3-5-9(14)12(10)15/h3,5-6,11H,4,7-8,15H2,1-2H3
InChIKeyRTXLONXHCUUVKE-UHFFFAOYSA-N
MW267.76 g/mol
LogP1.98
Rot. Bonds2

About 1-(2-amino-3-chlorophenyl)-N,N-dimethylpyrrolidine-2-carboxamide

1-(2-amino-3-chlorophenyl)-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 104834158) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 1-(2-amino-3-chlorophenyl)-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-amino-3-chlorophenyl)-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID104834158
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name1-(2-amino-3-chlorophenyl)-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1c1cccc(Cl)c1N
InChIInChI=1S/C13H18ClN3O/c1-16(2)13(18)11-7-4-8-17(11)10-6-3-5-9(14)12(10)15/h3,5-6,11H,4,7-8,15H2,1-2H3
InChIKeyRTXLONXHCUUVKE-UHFFFAOYSA-N
XLogP1.98
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(aminomethyl)-3-chlorophenyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 62500743
(2S)-1-(4,5-diamino-2-chlorophenyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 129391550
(2R)-1-(3-amino-4-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 93173237
(2S)-1-[2-(2,6-dichlorophenyl)acetyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 136584493
1-(8-aminoquinolin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 83065677
1-(4-aminophenyl)-N,N-dimethylpiperidine-2-carboxamide
CID 89155190
1-(5-amino-1H-pyrazol-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 82234963
1-(5-amino-3-chloro-2-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 114046115
1-(4-chloro-2-nitrophenyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 134032255
1-(5-chloro-6-cyano-2-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 133331252
1-(4,6-diamino-3-chloro-2-fluorophenyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 103552707
1-[4-(aminomethyl)-2-methylphenyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 54934284

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-chlorophenyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-amino-3-chlorophenyl)-N,N-dimethylpyrrolidine-2-carboxamide (CID 104834158) is 1-(2-amino-3-chlorophenyl)-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-amino-3-chlorophenyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-amino-3-chlorophenyl)-N,N-dimethylpyrrolidine-2-carboxamide is CN(C)C(=O)C1CCCN1c1cccc(Cl)c1N.
What is the InChIKey of 1-(2-amino-3-chlorophenyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is RTXLONXHCUUVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-16(2)13(18)11-7-4-8-17(11)10-6-3-5-9(14)12(10)15/h3,5-6,11H,4,7-8,15H2,1-2H3.
What are the key properties of 1-(2-amino-3-chlorophenyl)-N,N-dimethylpyrrolidine-2-carboxamide?
1-(2-amino-3-chlorophenyl)-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 267.76 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-chlorophenyl)-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 104834158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).