N-[(3R)-1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]-1H-pyrrole-3-carboxamide

C15H13Cl2N3O2 — CID 97340463

IUPACN-[(3R)-1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]-1H-pyrrole-3-carboxamide
SMILESO=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1cc[nH]c1
InChIInChI=1S/C15H13Cl2N3O2/c16-11-2-1-10(7-12(11)17)20-6-4-13(15(20)22)19-14(21)9-3-5-18-8-9/h1-3,5,7-8,13,18H,4,6H2,(H,19,21)/t13-/m1/s1
InChIKeyXPUVLDZVYGHEBL-CYBMUJFWSA-N
MW338.19 g/mol
LogP2.86
Rot. Bonds3

About N-[(3R)-1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]-1H-pyrrole-3-carboxamide

N-[(3R)-1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]-1H-pyrrole-3-carboxamide (PubChem CID 97340463) has the molecular formula C15H13Cl2N3O2 and a molecular weight of 338.19 g/mol. Its IUPAC name is N-[(3R)-1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]-1H-pyrrole-3-carboxamide
PubChem CID97340463
Molecular FormulaC15H13Cl2N3O2
Molecular Weight338.19 g/mol
Exact Mass337.04
IUPAC NameN-[(3R)-1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]-1H-pyrrole-3-carboxamide
SMILESO=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1cc[nH]c1
InChIInChI=1S/C15H13Cl2N3O2/c16-11-2-1-10(7-12(11)17)20-6-4-13(15(20)22)19-14(21)9-3-5-18-8-9/h1-3,5,7-8,13,18H,4,6H2,(H,19,21)/t13-/m1/s1
InChIKeyXPUVLDZVYGHEBL-CYBMUJFWSA-N
XLogP2.86
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 75448375
N-[(3R)-1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]pyridine-4-carboxamide
CID 97329341
1-(3,4-dichlorophenyl)-3-(methylamino)pyrrolidin-2-one
CID 54353900
N-[(3R)-1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]thiadiazole-5-carboxamide
CID 97329654
5-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid
CID 119137618
N-[1-(3-chloro-4-fluorophenyl)-2-oxopyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide
CID 102563907
4-[[1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]amino]-N-methyl-3-nitrobenzamide
CID 133439015
N-[1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide
CID 75395006
N-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3,5-difluorobenzamide
CID 71839042
1-(3,4-dichlorophenyl)-2-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide
CID 119386103
1-(3,4-dichlorophenyl)-2-oxo-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-3-carboxamide
CID 86938913
3,5-dimethyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95234364

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[(3R)-1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]-1H-pyrrole-3-carboxamide (CID 97340463) is N-[(3R)-1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[(3R)-1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[(3R)-1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]-1H-pyrrole-3-carboxamide is O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1cc[nH]c1.
What is the InChIKey of N-[(3R)-1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]-1H-pyrrole-3-carboxamide?
The InChIKey is XPUVLDZVYGHEBL-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H13Cl2N3O2/c16-11-2-1-10(7-12(11)17)20-6-4-13(15(20)22)19-14(21)9-3-5-18-8-9/h1-3,5,7-8,13,18H,4,6H2,(H,19,21)/t13-/m1/s1.
What are the key properties of N-[(3R)-1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]-1H-pyrrole-3-carboxamide?
N-[(3R)-1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]-1H-pyrrole-3-carboxamide has a molecular weight of 338.19 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 97340463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).