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

C19H19BrN2O2 — CID 55579173

IUPACN-benzyl-1-(4-bromo-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(N2CC(C(=O)NCc3ccccc3)CC2=O)ccc1Br
InChIInChI=1S/C19H19BrN2O2/c1-13-9-16(7-8-17(13)20)22-12-15(10-18(22)23)19(24)21-11-14-5-3-2-4-6-14/h2-9,15H,10-12H2,1H3,(H,21,24)
InChIKeyIMUYSPIMLJMTHN-UHFFFAOYSA-N
MW387.28 g/mol
LogP3.43
Rot. Bonds4

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

N-benzyl-1-(4-bromo-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 55579173) has the molecular formula C19H19BrN2O2 and a molecular weight of 387.28 g/mol. Its IUPAC name is N-benzyl-1-(4-bromo-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(4-bromo-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID55579173
Molecular FormulaC19H19BrN2O2
Molecular Weight387.28 g/mol
Exact Mass386.06
IUPAC NameN-benzyl-1-(4-bromo-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(N2CC(C(=O)NCc3ccccc3)CC2=O)ccc1Br
InChIInChI=1S/C19H19BrN2O2/c1-13-9-16(7-8-17(13)20)22-12-15(10-18(22)23)19(24)21-11-14-5-3-2-4-6-14/h2-9,15H,10-12H2,1H3,(H,21,24)
InChIKeyIMUYSPIMLJMTHN-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-(4-bromo-3-methylphenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 30838720
(3S)-1-(4-bromo-3-methylphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 25348516
N-benzyl-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2872612
1-(4-bromo-3-methylphenyl)-5-oxo-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 55734362
(3R)-N-benzyl-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 754074
(3R)-N-[(4-chlorophenyl)methyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9393635
N-benzyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2964408
1-(4-bromo-3-methylphenyl)-N-[(2R)-2-(ethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 120653013
(3R)-N-benzyl-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 124749019
(3R)-1-(3-acetamidophenyl)-N-benzyl-5-oxopyrrolidine-3-carboxamide
CID 92727126
(2R)-2-[[1-(4-bromo-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119243981
1-(4-bromo-3-methylphenyl)-N'-(furan-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide
CID 42952579

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(4-bromo-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-benzyl-1-(4-bromo-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 55579173) is N-benzyl-1-(4-bromo-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-(4-bromo-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-benzyl-1-(4-bromo-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1cc(N2CC(C(=O)NCc3ccccc3)CC2=O)ccc1Br.
What is the InChIKey of N-benzyl-1-(4-bromo-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is IMUYSPIMLJMTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O2/c1-13-9-16(7-8-17(13)20)22-12-15(10-18(22)23)19(24)21-11-14-5-3-2-4-6-14/h2-9,15H,10-12H2,1H3,(H,21,24).
What are the key properties of N-benzyl-1-(4-bromo-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-benzyl-1-(4-bromo-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 387.28 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(4-bromo-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55579173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).