(3R)-N-(4-bromo-2-ethylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide

C19H19BrN2O2 — CID 9004445

IUPAC(3R)-N-(4-bromo-2-ethylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCCc1cc(Br)ccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C19H19BrN2O2/c1-2-13-10-15(20)8-9-17(13)21-19(24)14-11-18(23)22(12-14)16-6-4-3-5-7-16/h3-10,14H,2,11-12H2,1H3,(H,21,24)/t14-/m1/s1
InChIKeyNSJRLGNQHKZULB-CQSZACIVSA-N
MW387.28 g/mol
LogP4.00
Rot. Bonds4

About (3R)-N-(4-bromo-2-ethylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide

(3R)-N-(4-bromo-2-ethylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 9004445) has the molecular formula C19H19BrN2O2 and a molecular weight of 387.28 g/mol. Its IUPAC name is (3R)-N-(4-bromo-2-ethylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-bromo-2-ethylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID9004445
Molecular FormulaC19H19BrN2O2
Molecular Weight387.28 g/mol
Exact Mass386.06
IUPAC Name(3R)-N-(4-bromo-2-ethylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCCc1cc(Br)ccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C19H19BrN2O2/c1-2-13-10-15(20)8-9-17(13)21-19(24)14-11-18(23)22(12-14)16-6-4-3-5-7-16/h3-10,14H,2,11-12H2,1H3,(H,21,24)/t14-/m1/s1
InChIKeyNSJRLGNQHKZULB-CQSZACIVSA-N
XLogP4.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-(4-bromo-2-ethylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1260237
(3R)-N-(4-bromo-2-ethylphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004583
(3R)-N-(4-bromo-2-fluorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 1006550
(3R)-N-(4-bromo-2-ethylphenyl)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1260188
N-(4-bromo-2-fluorophenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120342
N-[4-bromo-2-(trifluoromethyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 2955408
N-(4-bromo-2-ethylphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106703922
(3R)-N-(2-bromophenyl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1040479
N-(4-bromo-2-methylphenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118645
(3S)-1-(4-bromophenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1102179
(3S)-1-(3-acetamidophenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727013
1-(3-bromophenyl)-N-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42952948

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-bromo-2-ethylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(4-bromo-2-ethylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 9004445) is (3R)-N-(4-bromo-2-ethylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(4-bromo-2-ethylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(4-bromo-2-ethylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide is CCc1cc(Br)ccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of (3R)-N-(4-bromo-2-ethylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is NSJRLGNQHKZULB-CQSZACIVSA-N. The full InChI is InChI=1S/C19H19BrN2O2/c1-2-13-10-15(20)8-9-17(13)21-19(24)14-11-18(23)22(12-14)16-6-4-3-5-7-16/h3-10,14H,2,11-12H2,1H3,(H,21,24)/t14-/m1/s1.
What are the key properties of (3R)-N-(4-bromo-2-ethylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
(3R)-N-(4-bromo-2-ethylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 387.28 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-bromo-2-ethylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 9004445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).