(3R)-N-(4-bromo-3-methylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

C15H19BrN2O2 — CID 796285

IUPAC(3R)-N-(4-bromo-3-methylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCc1cc(NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)ccc1Br
InChIInChI=1S/C15H19BrN2O2/c1-9(2)18-8-11(7-14(18)19)15(20)17-12-4-5-13(16)10(3)6-12/h4-6,9,11H,7-8H2,1-3H3,(H,17,20)/t11-/m1/s1
InChIKeyCDTNCNHYFDRDNZ-LLVKDONJSA-N
MW339.23 g/mol
LogP2.95
Rot. Bonds3

About (3R)-N-(4-bromo-3-methylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

(3R)-N-(4-bromo-3-methylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 796285) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is (3R)-N-(4-bromo-3-methylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-bromo-3-methylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID796285
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name(3R)-N-(4-bromo-3-methylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCc1cc(NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)ccc1Br
InChIInChI=1S/C15H19BrN2O2/c1-9(2)18-8-11(7-14(18)19)15(20)17-12-4-5-13(16)10(3)6-12/h4-6,9,11H,7-8H2,1-3H3,(H,17,20)/t11-/m1/s1
InChIKeyCDTNCNHYFDRDNZ-LLVKDONJSA-N
XLogP2.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-(4-bromo-3-methylphenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 8572465
(3S)-N-(4-bromo-3-methylphenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 9398582
N-(4-bromo-3-methylphenyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 55604591
N-(4-bromo-3-methylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 84899063
5-oxo-1-propan-2-yl-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 2951809
N-(3,4-dimethylphenyl)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
CID 112826759
(3S)-N-(4-acetylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 1248305
(3S)-N-(4-bromo-3-chlorophenyl)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 1218744
(3S)-N-(4-bromo-3-methylphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 35504330
(3S)-N-(2,4-dibromophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 1284893
(3S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 40977144
N-(2,5-dimethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 651651

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-bromo-3-methylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(4-bromo-3-methylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (CID 796285) is (3R)-N-(4-bromo-3-methylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(4-bromo-3-methylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(4-bromo-3-methylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is Cc1cc(NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)ccc1Br.
What is the InChIKey of (3R)-N-(4-bromo-3-methylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is CDTNCNHYFDRDNZ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-9(2)18-8-11(7-14(18)19)15(20)17-12-4-5-13(16)10(3)6-12/h4-6,9,11H,7-8H2,1-3H3,(H,17,20)/t11-/m1/s1.
What are the key properties of (3R)-N-(4-bromo-3-methylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
(3R)-N-(4-bromo-3-methylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 339.23 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-bromo-3-methylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 796285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).