(3S)-N-(4-bromo-2-chlorophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C18H16BrClN2O3 — CID 26239605

IUPAC(3S)-N-(4-bromo-2-chlorophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Br)cc2Cl)CC1=O
InChIInChI=1S/C18H16BrClN2O3/c1-25-16-5-3-2-4-15(16)22-10-11(8-17(22)23)18(24)21-14-7-6-12(19)9-13(14)20/h2-7,9,11H,8,10H2,1H3,(H,21,24)/t11-/m0/s1
InChIKeyHIIOOOJFJDKFCK-NSHDSACASA-N
MW423.69 g/mol
LogP4.10
Rot. Bonds4

About (3S)-N-(4-bromo-2-chlorophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

(3S)-N-(4-bromo-2-chlorophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 26239605) has the molecular formula C18H16BrClN2O3 and a molecular weight of 423.69 g/mol. Its IUPAC name is (3S)-N-(4-bromo-2-chlorophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(4-bromo-2-chlorophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID26239605
Molecular FormulaC18H16BrClN2O3
Molecular Weight423.69 g/mol
Exact Mass422.00
IUPAC Name(3S)-N-(4-bromo-2-chlorophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Br)cc2Cl)CC1=O
InChIInChI=1S/C18H16BrClN2O3/c1-25-16-5-3-2-4-15(16)22-10-11(8-17(22)23)18(24)21-14-7-6-12(19)9-13(14)20/h2-7,9,11H,8,10H2,1H3,(H,21,24)/t11-/m0/s1
InChIKeyHIIOOOJFJDKFCK-NSHDSACASA-N
XLogP4.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.69
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-chlorophenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2964456
N-(4-chloro-2-methoxy-5-methylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 4787816
(3S)-N-(2-chloro-4-methylphenyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8885963
(3R)-N-(4-chloro-2-methylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8780130
(3S)-N-(4-bromo-2-chlorophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1260449
(3S)-N-(2-chloro-4-methylphenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8885855
(3R)-N-(2-methoxy-5-methylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9098300
(3S)-N-(2-fluorophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7456530
N-[5-chloro-2-(dimethylamino)phenyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55337356
methyl 4,5-dimethoxy-2-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 4799318
N-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51159017
N-(3-chloro-4-piperidin-1-ylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17308597

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4-bromo-2-chlorophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(4-bromo-2-chlorophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 26239605) is (3S)-N-(4-bromo-2-chlorophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(4-bromo-2-chlorophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(4-bromo-2-chlorophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Br)cc2Cl)CC1=O.
What is the InChIKey of (3S)-N-(4-bromo-2-chlorophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HIIOOOJFJDKFCK-NSHDSACASA-N. The full InChI is InChI=1S/C18H16BrClN2O3/c1-25-16-5-3-2-4-15(16)22-10-11(8-17(22)23)18(24)21-14-7-6-12(19)9-13(14)20/h2-7,9,11H,8,10H2,1H3,(H,21,24)/t11-/m0/s1.
What are the key properties of (3S)-N-(4-bromo-2-chlorophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-N-(4-bromo-2-chlorophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 423.69 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(4-bromo-2-chlorophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 26239605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).