1-benzoyl-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]pyrrolidine-2-carboxamide

C24H30ClN3O2 — CID 112813754

IUPAC1-benzoyl-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]pyrrolidine-2-carboxamide
SMILESCCN(CC)C(CNC(=O)C1CCCN1C(=O)c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C24H30ClN3O2/c1-3-27(4-2)22(19-13-8-9-14-20(19)25)17-26-23(29)21-15-10-16-28(21)24(30)18-11-6-5-7-12-18/h5-9,11-14,21-22H,3-4,10,15-17H2,1-2H3,(H,26,29)
InChIKeyCDROVVQHBNNTAF-UHFFFAOYSA-N
MW427.98 g/mol
LogP4.14
Rot. Bonds8

About 1-benzoyl-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]pyrrolidine-2-carboxamide

1-benzoyl-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]pyrrolidine-2-carboxamide (PubChem CID 112813754) has the molecular formula C24H30ClN3O2 and a molecular weight of 427.98 g/mol. Its IUPAC name is 1-benzoyl-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]pyrrolidine-2-carboxamide
PubChem CID112813754
Molecular FormulaC24H30ClN3O2
Molecular Weight427.98 g/mol
Exact Mass427.20
IUPAC Name1-benzoyl-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]pyrrolidine-2-carboxamide
SMILESCCN(CC)C(CNC(=O)C1CCCN1C(=O)c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C24H30ClN3O2/c1-3-27(4-2)22(19-13-8-9-14-20(19)25)17-26-23(29)21-15-10-16-28(21)24(30)18-11-6-5-7-12-18/h5-9,11-14,21-22H,3-4,10,15-17H2,1-2H3,(H,26,29)
InChIKeyCDROVVQHBNNTAF-UHFFFAOYSA-N
XLogP4.14
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.98
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzoyl-N-[2-(diethylamino)-4-methylpentyl]pyrrolidine-2-carboxamide
CID 112823538
N-(2-amino-2-phenylethyl)-1-benzoylpyrrolidine-2-carboxamide;hydrochloride
CID 119529228
1-benzoyl-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide
CID 119503511
1-benzoyl-N-[[4-(diethylcarbamoyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 112821500
N-(3-aminobutyl)-1-benzoylpyrrolidine-2-carboxamide
CID 119498752
1-benzoyl-N-(3-ethyl-2-morpholin-4-ylpentyl)pyrrolidine-2-carboxamide
CID 112813971
N-(2-amino-2-ethylbutyl)-1-benzoylpyrrolidine-2-carboxamide
CID 119643109
1-benzoyl-N-(3-chloro-2-methylphenyl)pyrrolidine-2-carboxamide
CID 46756268
(2S)-1-benzoyl-N-methoxypyrrolidine-2-carboxamide
CID 11345650
(2S)-1-benzoyl-N-[2-[(4-chlorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide
CID 39984741
1-benzoyl-N-[2-(N-ethyl-2-methylanilino)ethyl]pyrrolidine-2-carboxamide
CID 112827008
(2S)-1-benzoyl-N-(4-ethylphenyl)pyrrolidine-2-carboxamide
CID 92668243

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-benzoyl-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]pyrrolidine-2-carboxamide (CID 112813754) is 1-benzoyl-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-benzoyl-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-benzoyl-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]pyrrolidine-2-carboxamide is CCN(CC)C(CNC(=O)C1CCCN1C(=O)c1ccccc1)c1ccccc1Cl.
What is the InChIKey of 1-benzoyl-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is CDROVVQHBNNTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O2/c1-3-27(4-2)22(19-13-8-9-14-20(19)25)17-26-23(29)21-15-10-16-28(21)24(30)18-11-6-5-7-12-18/h5-9,11-14,21-22H,3-4,10,15-17H2,1-2H3,(H,26,29).
What are the key properties of 1-benzoyl-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]pyrrolidine-2-carboxamide?
1-benzoyl-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 427.98 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 112813754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).