1-(2,4-dichlorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide

C14H16Cl2N2O2 — CID 113190926

IUPAC1-(2,4-dichlorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
SMILESCCCNC(=O)C1CC(=O)N(c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C14H16Cl2N2O2/c1-2-5-17-14(20)9-6-13(19)18(8-9)12-4-3-10(15)7-11(12)16/h3-4,7,9H,2,5-6,8H2,1H3,(H,17,20)
InChIKeyKAPBWRBCPVVRLI-UHFFFAOYSA-N
MW315.20 g/mol
LogP2.87
Rot. Bonds4

About 1-(2,4-dichlorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide

1-(2,4-dichlorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide (PubChem CID 113190926) has the molecular formula C14H16Cl2N2O2 and a molecular weight of 315.20 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
PubChem CID113190926
Molecular FormulaC14H16Cl2N2O2
Molecular Weight315.20 g/mol
Exact Mass314.06
IUPAC Name1-(2,4-dichlorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
SMILESCCCNC(=O)C1CC(=O)N(c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C14H16Cl2N2O2/c1-2-5-17-14(20)9-6-13(19)18(8-9)12-4-3-10(15)7-11(12)16/h3-4,7,9H,2,5-6,8H2,1H3,(H,17,20)
InChIKeyKAPBWRBCPVVRLI-UHFFFAOYSA-N
XLogP2.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113190943
1-(2,5-dichlorophenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 113191072
1-(4-chlorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 2844952
1-(2,4-dichlorophenyl)-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113190969
1-[2-(2,4-dichlorophenyl)ethyl]-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 113185877
N-[2-(2,4-dichlorophenyl)ethyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185940
1-(2,6-dichlorophenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 113191264
1-(2,4-dichlorophenyl)-N-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113191025
(3S)-N-[2-(2,4-dichlorophenyl)ethyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 93017634
(3R)-1-(3,5-dimethylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 40965916
(3S)-1-(2-chlorophenyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 95127313
1-(2,5-dichlorophenyl)-5-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113191068

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,4-dichlorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide (CID 113190926) is 1-(2,4-dichlorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,4-dichlorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide is CCCNC(=O)C1CC(=O)N(c2ccc(Cl)cc2Cl)C1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide?
The InChIKey is KAPBWRBCPVVRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O2/c1-2-5-17-14(20)9-6-13(19)18(8-9)12-4-3-10(15)7-11(12)16/h3-4,7,9H,2,5-6,8H2,1H3,(H,17,20).
What are the key properties of 1-(2,4-dichlorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide?
1-(2,4-dichlorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide has a molecular weight of 315.20 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 113190926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).