N-(4-chlorophenyl)-3-(diethylamino)pyrrolidine-1-carboxamide

C15H22ClN3O — CID 110446851

IUPACN-(4-chlorophenyl)-3-(diethylamino)pyrrolidine-1-carboxamide
SMILESCCN(CC)C1CCN(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C15H22ClN3O/c1-3-18(4-2)14-9-10-19(11-14)15(20)17-13-7-5-12(16)6-8-13/h5-8,14H,3-4,9-11H2,1-2H3,(H,17,20)
InChIKeyFZCQZHNBNFCRQI-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.29
Rot. Bonds4

About N-(4-chlorophenyl)-3-(diethylamino)pyrrolidine-1-carboxamide

N-(4-chlorophenyl)-3-(diethylamino)pyrrolidine-1-carboxamide (PubChem CID 110446851) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-(diethylamino)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-(diethylamino)pyrrolidine-1-carboxamide
PubChem CID110446851
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC NameN-(4-chlorophenyl)-3-(diethylamino)pyrrolidine-1-carboxamide
SMILESCCN(CC)C1CCN(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C15H22ClN3O/c1-3-18(4-2)14-9-10-19(11-14)15(20)17-13-7-5-12(16)6-8-13/h5-8,14H,3-4,9-11H2,1-2H3,(H,17,20)
InChIKeyFZCQZHNBNFCRQI-UHFFFAOYSA-N
XLogP3.29
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(4-chlorophenoxy)phenyl]-3-(dimethylamino)pyrrolidine-1-carboxamide
CID 72916566
3-(diethylamino)-N-phenylazetidine-1-carboxamide
CID 23140628
1-N-(4-chlorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 3697126
2-(4-chlorophenoxy)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone
CID 110442714
N-(4-chlorophenyl)-4-(methylamino)piperidine-1-carboxamide;hydrochloride
CID 165430478
(3R)-3-amino-N-(4-chlorophenyl)pyrrolidine-1-carboxamide;hydrochloride
CID 165430484
3-(diethylamino)-N-(2,4,6-trimethylphenyl)pyrrolidine-1-carboxamide
CID 72844192
(3R,4S)-N-(4-chlorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide
CID 79411419
(3R)-N-(3-chloro-4-fluorophenyl)-3-(dimethylamino)pyrrolidine-1-carboxamide
CID 140894275
ethyl 3-[(4-chlorophenyl)methyl-ethylamino]pyrrolidine-1-carboxylate
CID 66758743
[(3S)-1-[(4-chlorophenyl)carbamoyl]pyrrolidin-3-yl] hexanoate
CID 174927855
(3R)-N-(4-chlorophenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 9120034

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-(diethylamino)pyrrolidine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-3-(diethylamino)pyrrolidine-1-carboxamide (CID 110446851) is N-(4-chlorophenyl)-3-(diethylamino)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-(diethylamino)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-3-(diethylamino)pyrrolidine-1-carboxamide is CCN(CC)C1CCN(C(=O)Nc2ccc(Cl)cc2)C1.
What is the InChIKey of N-(4-chlorophenyl)-3-(diethylamino)pyrrolidine-1-carboxamide?
The InChIKey is FZCQZHNBNFCRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-3-18(4-2)14-9-10-19(11-14)15(20)17-13-7-5-12(16)6-8-13/h5-8,14H,3-4,9-11H2,1-2H3,(H,17,20).
What are the key properties of N-(4-chlorophenyl)-3-(diethylamino)pyrrolidine-1-carboxamide?
N-(4-chlorophenyl)-3-(diethylamino)pyrrolidine-1-carboxamide has a molecular weight of 295.81 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-(diethylamino)pyrrolidine-1-carboxamide is sourced from PubChem (CID 110446851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).