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

C14H16Cl2N2O2 — CID 2953224

IUPACN-(2,4-dichlorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N1CC(C(=O)Nc2ccc(Cl)cc2Cl)CC1=O
InChIInChI=1S/C14H16Cl2N2O2/c1-8(2)18-7-9(5-13(18)19)14(20)17-12-4-3-10(15)6-11(12)16/h3-4,6,8-9H,5,7H2,1-2H3,(H,17,20)
InChIKeyHOXWYDZJJNAKAO-UHFFFAOYSA-N
MW315.20 g/mol
LogP3.19
Rot. Bonds3

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

N-(2,4-dichlorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 2953224) has the molecular formula C14H16Cl2N2O2 and a molecular weight of 315.20 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID2953224
Molecular FormulaC14H16Cl2N2O2
Molecular Weight315.20 g/mol
Exact Mass314.06
IUPAC NameN-(2,4-dichlorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N1CC(C(=O)Nc2ccc(Cl)cc2Cl)CC1=O
InChIInChI=1S/C14H16Cl2N2O2/c1-8(2)18-7-9(5-13(18)19)14(20)17-12-4-3-10(15)6-11(12)16/h3-4,6,8-9H,5,7H2,1-2H3,(H,17,20)
InChIKeyHOXWYDZJJNAKAO-UHFFFAOYSA-N
XLogP3.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Clibucaine
CID 65613
1-Cyclohexyl-N-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 623482
N-(3-chlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 571477
N-(3-chlorophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3112066
N-[3-chloro-4-(pyrrolidin-1-yl)phenyl]-2-methylpropanamide
CID 772860
1-cyclohexyl-N-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 534606
2-acetyl-N-(4-chlorophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide
CID 3603561
N-(4-chlorophenyl)-2-(2-oxo-1-pyrrolidinyl)butanamide
CID 4120877
N-(3-chloro-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 5305509
1-(4-Chlorophenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 6462900
1-(4-Chlorophenyl)-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 6463672
1-(4-Chlorophenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 6497603

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (CID 2953224) is N-(2,4-dichlorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is CC(C)N1CC(C(=O)Nc2ccc(Cl)cc2Cl)CC1=O.
What is the InChIKey of N-(2,4-dichlorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is HOXWYDZJJNAKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O2/c1-8(2)18-7-9(5-13(18)19)14(20)17-12-4-3-10(15)6-11(12)16/h3-4,6,8-9H,5,7H2,1-2H3,(H,17,20).
What are the key properties of N-(2,4-dichlorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
N-(2,4-dichlorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 315.20 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 2953224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).