1-(5-amino-2-chlorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide

C14H18ClN3O2 — CID 43575372

IUPAC1-(5-amino-2-chlorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1C(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C14H18ClN3O2/c1-17(2)14(20)12-4-3-7-18(12)13(19)10-8-9(16)5-6-11(10)15/h5-6,8,12H,3-4,7,16H2,1-2H3
InChIKeyYEBXUMRJOYVCPS-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.62
Rot. Bonds2

About 1-(5-amino-2-chlorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide

1-(5-amino-2-chlorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 43575372) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 1-(5-amino-2-chlorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(5-amino-2-chlorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID43575372
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name1-(5-amino-2-chlorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1C(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C14H18ClN3O2/c1-17(2)14(20)12-4-3-7-18(12)13(19)10-8-9(16)5-6-11(10)15/h5-6,8,12H,3-4,7,16H2,1-2H3
InChIKeyYEBXUMRJOYVCPS-UHFFFAOYSA-N
XLogP1.62
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.62
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-(5-chloro-2-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 60706860
1-(4-bromo-3-chlorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 80979299
1-(4-amino-2-chlorobenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 61114622
1-(4,5-dihydroxy-2-methylbenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 167765690
1-(2,6-dichloropyridine-4-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 60717068
1-(3-amino-4-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 43575377
1-(2-methoxybenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 42939595
1-(4-chloro-5-fluoropyridine-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 126840807
(2S)-1-(4,5-diamino-2-chlorophenyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 129391550
(2R)-1-(5-bromo-2-chlorobenzoyl)pyrrolidine-2-carboxamide
CID 93418929
(2R)-1-(5-amino-2-bromobenzoyl)pyrrolidine-2-carboxylic acid
CID 113281253
(4-amino-2-chlorophenyl)-(2-methylpyrrolidin-1-yl)methanone;hydrochloride
CID 119781055

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-chlorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(5-amino-2-chlorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide (CID 43575372) is 1-(5-amino-2-chlorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(5-amino-2-chlorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(5-amino-2-chlorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide is CN(C)C(=O)C1CCCN1C(=O)c1cc(N)ccc1Cl.
What is the InChIKey of 1-(5-amino-2-chlorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is YEBXUMRJOYVCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-17(2)14(20)12-4-3-7-18(12)13(19)10-8-9(16)5-6-11(10)15/h5-6,8,12H,3-4,7,16H2,1-2H3.
What are the key properties of 1-(5-amino-2-chlorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide?
1-(5-amino-2-chlorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 295.77 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-chlorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 43575372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).