5-amino-3-chloro-2-[3-(diethylamino)pyrrolidin-1-yl]benzamide

C15H23ClN4O — CID 107195794

IUPAC5-amino-3-chloro-2-[3-(diethylamino)pyrrolidin-1-yl]benzamide
SMILESCCN(CC)C1CCN(c2c(Cl)cc(N)cc2C(N)=O)C1
InChIInChI=1S/C15H23ClN4O/c1-3-19(4-2)11-5-6-20(9-11)14-12(15(18)21)7-10(17)8-13(14)16/h7-8,11H,3-6,9,17H2,1-2H3,(H2,18,21)
InChIKeyXUAODHARPCCRAS-UHFFFAOYSA-N
MW310.83 g/mol
LogP1.94
Rot. Bonds5

About 5-amino-3-chloro-2-[3-(diethylamino)pyrrolidin-1-yl]benzamide

5-amino-3-chloro-2-[3-(diethylamino)pyrrolidin-1-yl]benzamide (PubChem CID 107195794) has the molecular formula C15H23ClN4O and a molecular weight of 310.83 g/mol. Its IUPAC name is 5-amino-3-chloro-2-[3-(diethylamino)pyrrolidin-1-yl]benzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-[3-(diethylamino)pyrrolidin-1-yl]benzamide
PubChem CID107195794
Molecular FormulaC15H23ClN4O
Molecular Weight310.83 g/mol
Exact Mass310.16
IUPAC Name5-amino-3-chloro-2-[3-(diethylamino)pyrrolidin-1-yl]benzamide
SMILESCCN(CC)C1CCN(c2c(Cl)cc(N)cc2C(N)=O)C1
InChIInChI=1S/C15H23ClN4O/c1-3-19(4-2)11-5-6-20(9-11)14-12(15(18)21)7-10(17)8-13(14)16/h7-8,11H,3-6,9,17H2,1-2H3,(H2,18,21)
InChIKeyXUAODHARPCCRAS-UHFFFAOYSA-N
XLogP1.94
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-{[(8-Chloro-4-hydroxyquinolin-2-YL)methyl]amino}propyl)pyrrolidin-2-one
CID 72915360
8-chloro-6-pyrrolidin-1-yl-3H-quinazolin-4-one
CID 172446046
5-amino-N-(2-chloro-4-fluorophenyl)-2-(dimethylamino)benzamide
CID 61095146
2-Amino-5-[(3-chlorophenyl)methyl-methylamino]-4-fluorobenzamide
CID 61989629
2-Amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-fluorobenzamide
CID 62889444
2-Amino-5-[3-(dimethylamino)pyrrolidin-1-yl]-4-fluorobenzamide
CID 63174969
2-Amino-5-[3-(diethylamino)pyrrolidin-1-yl]-4-fluorobenzamide
CID 63175106
2-Amino-4-fluoro-5-[methyl(2-pyrrolidin-1-ylethyl)amino]benzamide
CID 63208779
2-Amino-5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-4-fluorobenzamide
CID 79309783
2-Amino-4-fluoro-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzamide
CID 79312535
2-Amino-5-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-4-fluorobenzamide
CID 81474471
5-Amino-3-chloro-2-(2,2,3,3-tetrafluoropropylamino)benzamide
CID 106295406

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-[3-(diethylamino)pyrrolidin-1-yl]benzamide?
The IUPAC name of 5-amino-3-chloro-2-[3-(diethylamino)pyrrolidin-1-yl]benzamide (CID 107195794) is 5-amino-3-chloro-2-[3-(diethylamino)pyrrolidin-1-yl]benzamide.
What is the SMILES notation for 5-amino-3-chloro-2-[3-(diethylamino)pyrrolidin-1-yl]benzamide?
The canonical SMILES for 5-amino-3-chloro-2-[3-(diethylamino)pyrrolidin-1-yl]benzamide is CCN(CC)C1CCN(c2c(Cl)cc(N)cc2C(N)=O)C1.
What is the InChIKey of 5-amino-3-chloro-2-[3-(diethylamino)pyrrolidin-1-yl]benzamide?
The InChIKey is XUAODHARPCCRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4O/c1-3-19(4-2)11-5-6-20(9-11)14-12(15(18)21)7-10(17)8-13(14)16/h7-8,11H,3-6,9,17H2,1-2H3,(H2,18,21).
What are the key properties of 5-amino-3-chloro-2-[3-(diethylamino)pyrrolidin-1-yl]benzamide?
5-amino-3-chloro-2-[3-(diethylamino)pyrrolidin-1-yl]benzamide has a molecular weight of 310.83 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-[3-(diethylamino)pyrrolidin-1-yl]benzamide is sourced from PubChem (CID 107195794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).