(3R)-N-(4-bromo-3-chlorophenyl)-1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C18H15BrCl2N2O2 — CID 124529249

IUPAC(3R)-N-(4-bromo-3-chlorophenyl)-1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1c(Cl)cccc1N1C[C@H](C(=O)Nc2ccc(Br)c(Cl)c2)CC1=O
InChIInChI=1S/C18H15BrCl2N2O2/c1-10-14(20)3-2-4-16(10)23-9-11(7-17(23)24)18(25)22-12-5-6-13(19)15(21)8-12/h2-6,8,11H,7,9H2,1H3,(H,22,25)/t11-/m1/s1
InChIKeyRTNRTOKWBMNGJX-LLVKDONJSA-N
MW442.14 g/mol
LogP5.06
Rot. Bonds3

About (3R)-N-(4-bromo-3-chlorophenyl)-1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-(4-bromo-3-chlorophenyl)-1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 124529249) has the molecular formula C18H15BrCl2N2O2 and a molecular weight of 442.14 g/mol. Its IUPAC name is (3R)-N-(4-bromo-3-chlorophenyl)-1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-bromo-3-chlorophenyl)-1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID124529249
Molecular FormulaC18H15BrCl2N2O2
Molecular Weight442.14 g/mol
Exact Mass439.97
IUPAC Name(3R)-N-(4-bromo-3-chlorophenyl)-1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1c(Cl)cccc1N1C[C@H](C(=O)Nc2ccc(Br)c(Cl)c2)CC1=O
InChIInChI=1S/C18H15BrCl2N2O2/c1-10-14(20)3-2-4-16(10)23-9-11(7-17(23)24)18(25)22-12-5-6-13(19)15(21)8-12/h2-6,8,11H,7,9H2,1H3,(H,22,25)/t11-/m1/s1
InChIKeyRTNRTOKWBMNGJX-LLVKDONJSA-N
XLogP5.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.14
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-(4-bromo-3-chlorophenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124529072
(3R)-1-(3-chloro-2-methylphenyl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 970364
(3R)-1-(3-chloro-2-methylphenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 124523156
1-(3-chloro-2-methylphenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187530
1-(3-chloro-2-methylphenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113187538
(3R)-1-(3-chloro-2-methylphenyl)-5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 7325420
(3S)-1-(3-chloro-2-methylphenyl)-N-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056265
(3R)-1-(2,3-dichlorophenyl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124529134
(3S)-1-(3-chloro-2-methylphenyl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1233393
1-(3-chloro-2-methylphenyl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2932312
(3R)-N-(4-bromo-3-chlorophenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124528964
(3S)-1-(2-chlorophenyl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 26721715

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-bromo-3-chlorophenyl)-1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(4-bromo-3-chlorophenyl)-1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 124529249) is (3R)-N-(4-bromo-3-chlorophenyl)-1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(4-bromo-3-chlorophenyl)-1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(4-bromo-3-chlorophenyl)-1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1c(Cl)cccc1N1C[C@H](C(=O)Nc2ccc(Br)c(Cl)c2)CC1=O.
What is the InChIKey of (3R)-N-(4-bromo-3-chlorophenyl)-1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RTNRTOKWBMNGJX-LLVKDONJSA-N. The full InChI is InChI=1S/C18H15BrCl2N2O2/c1-10-14(20)3-2-4-16(10)23-9-11(7-17(23)24)18(25)22-12-5-6-13(19)15(21)8-12/h2-6,8,11H,7,9H2,1H3,(H,22,25)/t11-/m1/s1.
What are the key properties of (3R)-N-(4-bromo-3-chlorophenyl)-1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-(4-bromo-3-chlorophenyl)-1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 442.14 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-bromo-3-chlorophenyl)-1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 124529249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).