(3R)-1-benzyl-N-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide

C18H16BrClN2O2 — CID 124529257

IUPAC(3R)-1-benzyl-N-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)c(Cl)c1)[C@@H]1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C18H16BrClN2O2/c19-15-7-6-14(9-16(15)20)21-18(24)13-8-17(23)22(11-13)10-12-4-2-1-3-5-12/h1-7,9,13H,8,10-11H2,(H,21,24)/t13-/m1/s1
InChIKeyFUJKUARUSSSGLY-CYBMUJFWSA-N
MW407.70 g/mol
LogP4.09
Rot. Bonds4

About (3R)-1-benzyl-N-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-1-benzyl-N-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 124529257) has the molecular formula C18H16BrClN2O2 and a molecular weight of 407.70 g/mol. Its IUPAC name is (3R)-1-benzyl-N-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-benzyl-N-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID124529257
Molecular FormulaC18H16BrClN2O2
Molecular Weight407.70 g/mol
Exact Mass406.01
IUPAC Name(3R)-1-benzyl-N-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)c(Cl)c1)[C@@H]1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C18H16BrClN2O2/c19-15-7-6-14(9-16(15)20)21-18(24)13-8-17(23)22(11-13)10-12-4-2-1-3-5-12/h1-7,9,13H,8,10-11H2,(H,21,24)/t13-/m1/s1
InChIKeyFUJKUARUSSSGLY-CYBMUJFWSA-N
XLogP4.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.70
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-N-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 4811389
1-benzyl-N-(4-chloro-3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
CID 86913721
N-(3,4-dichlorophenyl)-1-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183358
N-(3,4-dichlorophenyl)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183590
(3S)-N-(4-bromo-3-chlorophenyl)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 1218744
1-benzyl-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 25163321
(3R)-N-(4-bromo-3-chlorophenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124528964
(3S)-1-benzyl-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 34363990
(3R)-1-benzyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 26954259
methyl 4-[[(3R)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 8018544
methyl 4-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 8018551
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-benzyl-5-oxopyrrolidine-3-carboxamide
CID 42996257

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-N-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-benzyl-N-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 124529257) is (3R)-1-benzyl-N-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-benzyl-N-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-benzyl-N-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1ccc(Br)c(Cl)c1)[C@@H]1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of (3R)-1-benzyl-N-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FUJKUARUSSSGLY-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H16BrClN2O2/c19-15-7-6-14(9-16(15)20)21-18(24)13-8-17(23)22(11-13)10-12-4-2-1-3-5-12/h1-7,9,13H,8,10-11H2,(H,21,24)/t13-/m1/s1.
What are the key properties of (3R)-1-benzyl-N-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-1-benzyl-N-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 407.70 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-N-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 124529257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).