(2R)-1-[3-[(4-chlorobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide

C17H24ClN3O2 — CID 52860378

IUPAC(2R)-1-[3-[(4-chlorobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H24ClN3O2/c1-20(2)17(23)15-5-3-11-21(15)12-4-10-19-16(22)13-6-8-14(18)9-7-13/h6-9,15H,3-5,10-12H2,1-2H3,(H,19,22)/t15-/m1/s1
InChIKeyOOECWVINRDBGEH-OAHLLOKOSA-N
MW337.85 g/mol
LogP2.01
Rot. Bonds6

About (2R)-1-[3-[(4-chlorobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide

(2R)-1-[3-[(4-chlorobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 52860378) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is (2R)-1-[3-[(4-chlorobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[3-[(4-chlorobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID52860378
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name(2R)-1-[3-[(4-chlorobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H24ClN3O2/c1-20(2)17(23)15-5-3-11-21(15)12-4-10-19-16(22)13-6-8-14(18)9-7-13/h6-9,15H,3-5,10-12H2,1-2H3,(H,19,22)/t15-/m1/s1
InChIKeyOOECWVINRDBGEH-OAHLLOKOSA-N
XLogP2.01
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N,N-dimethyl-1-[3-[(4-methylbenzoyl)amino]propyl]pyrrolidine-2-carboxamide
CID 95303248
(2S)-1-[3-[(2-fluorobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 95287372
N-[3-[(2S)-2-(dimethylcarbamoyl)pyrrolidin-1-yl]propyl]-1H-indole-6-carboxamide
CID 95302588
(2R)-1-[3-[(3-cyanobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 95298954
(2R)-1-[3-[(3-cyclopropylthiophene-2-carbonyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 95339617
(2R)-N-[3-[(2R)-2-(dimethylcarbamoyl)pyrrolidin-1-yl]propyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 52518039
1-[3-[[N-[2-(3-chlorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 111358156
N,N-dimethyl-1-[3-(prop-2-enoylamino)propyl]pyrrolidine-2-carboxamide
CID 146106973
(2S)-N,N-dimethyl-1-[3-[(2-phenylsulfanylacetyl)amino]propyl]pyrrolidine-2-carboxamide
CID 95296492
N-[3-[2-(dimethylcarbamoyl)pyrrolidin-1-yl]propyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 51134153
1-[3-[[C-[4-(2-chlorophenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide;hydroiodide
CID 111177805
(3aS,7aR)-N-[3-[(2R)-2-(dimethylcarbamoyl)pyrrolidin-1-yl]propyl]-1,3,3a,4,7,7a-hexahydroisoindole-2-carboxamide
CID 95933779

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-[(4-chlorobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[3-[(4-chlorobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide (CID 52860378) is (2R)-1-[3-[(4-chlorobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[3-[(4-chlorobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[3-[(4-chlorobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide is CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-1-[3-[(4-chlorobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is OOECWVINRDBGEH-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-20(2)17(23)15-5-3-11-21(15)12-4-10-19-16(22)13-6-8-14(18)9-7-13/h6-9,15H,3-5,10-12H2,1-2H3,(H,19,22)/t15-/m1/s1.
What are the key properties of (2R)-1-[3-[(4-chlorobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide?
(2R)-1-[3-[(4-chlorobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 337.85 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-[(4-chlorobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 52860378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).