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

C18H16BrFN2O2 — CID 124528847

IUPAC(3R)-1-(4-bromophenyl)-N-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1F
InChIInChI=1S/C18H16BrFN2O2/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)/t12-/m1/s1
InChIKeyNDXSGWCXBKFIGK-GFCCVEGCSA-N
MW391.24 g/mol
LogP3.89
Rot. Bonds3

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

(3R)-1-(4-bromophenyl)-N-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 124528847) has the molecular formula C18H16BrFN2O2 and a molecular weight of 391.24 g/mol. Its IUPAC name is (3R)-1-(4-bromophenyl)-N-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-bromophenyl)-N-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID124528847
Molecular FormulaC18H16BrFN2O2
Molecular Weight391.24 g/mol
Exact Mass390.04
IUPAC Name(3R)-1-(4-bromophenyl)-N-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1F
InChIInChI=1S/C18H16BrFN2O2/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)/t12-/m1/s1
InChIKeyNDXSGWCXBKFIGK-GFCCVEGCSA-N
XLogP3.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.24
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-(3-fluoro-4-methylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 124528944
1-(4-bromophenyl)-N-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2889867
(3S)-N-(3-fluoro-4-methylphenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 124528877
(3S)-1-(4-bromophenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1109935
(3S)-N-(3,4-dimethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 680186
N-(4-bromo-3-methylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 84899063
(3R)-1-(4-bromophenyl)-N-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1366068
(3R)-1-(4-bromophenyl)-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39348541
(3S)-1-(4-bromophenyl)-N-(4-iodophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1286829
(3S)-1-(4-bromophenyl)-N-[4-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 7207517
N-[4-(cyclopropylcarbamoyl)phenyl]-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 22831152
(3S)-N-(3,4-difluorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40978656

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-bromophenyl)-N-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-bromophenyl)-N-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 124528847) is (3R)-1-(4-bromophenyl)-N-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-bromophenyl)-N-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-bromophenyl)-N-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1F.
What is the InChIKey of (3R)-1-(4-bromophenyl)-N-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NDXSGWCXBKFIGK-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H16BrFN2O2/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)/t12-/m1/s1.
What are the key properties of (3R)-1-(4-bromophenyl)-N-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(4-bromophenyl)-N-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 391.24 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-bromophenyl)-N-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 124528847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).