1-(4-bromophenyl)-N-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C18H16BrClN2O2 — CID 2889867

IUPAC1-(4-bromophenyl)-N-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CC(=O)N(c3ccc(Br)cc3)C2)cc1Cl
InChIInChI=1S/C18H16BrClN2O2/c1-11-2-5-14(9-16(11)20)21-18(24)12-8-17(23)22(10-12)15-6-3-13(19)4-7-15/h2-7,9,12H,8,10H2,1H3,(H,21,24)
InChIKeyLUDVZAQBQCLFIQ-UHFFFAOYSA-N
MW407.70 g/mol
LogP4.40
Rot. Bonds3

About 1-(4-bromophenyl)-N-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

1-(4-bromophenyl)-N-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 2889867) has the molecular formula C18H16BrClN2O2 and a molecular weight of 407.70 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID2889867
Molecular FormulaC18H16BrClN2O2
Molecular Weight407.70 g/mol
Exact Mass406.01
IUPAC Name1-(4-bromophenyl)-N-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CC(=O)N(c3ccc(Br)cc3)C2)cc1Cl
InChIInChI=1S/C18H16BrClN2O2/c1-11-2-5-14(9-16(11)20)21-18(24)12-8-17(23)22(10-12)15-6-3-13(19)4-7-15/h2-7,9,12H,8,10H2,1H3,(H,21,24)
InChIKeyLUDVZAQBQCLFIQ-UHFFFAOYSA-N
XLogP4.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.70
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3098865
1-(4-acetylphenyl)-N-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113188951
(3R)-N-(3-chloro-4-methylphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7316360
(3R)-1-(4-bromophenyl)-N-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124528847
(3S)-N-(3-chloro-4-methylphenyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1330971
(3R)-1-(4-bromophenyl)-N-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1366068
(3S)-1-(4-bromophenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1109935
1-(3-chloro-4-methylphenyl)-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 6462969
1-(1,3-benzodioxol-5-yl)-N-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108791215
N-(3-acetamidophenyl)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17080885
1-(3-chloro-4-methylphenyl)-N-[4-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 3153872
(3R)-1-(4-bromophenyl)-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39348541

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 2889867) is 1-(4-bromophenyl)-N-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(NC(=O)C2CC(=O)N(c3ccc(Br)cc3)C2)cc1Cl.
What is the InChIKey of 1-(4-bromophenyl)-N-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LUDVZAQBQCLFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrClN2O2/c1-11-2-5-14(9-16(11)20)21-18(24)12-8-17(23)22(10-12)15-6-3-13(19)4-7-15/h2-7,9,12H,8,10H2,1H3,(H,21,24).
What are the key properties of 1-(4-bromophenyl)-N-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
1-(4-bromophenyl)-N-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 407.70 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 2889867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).