N-benzyl-1-[(3-bromophenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C19H19BrN2O2 — CID 46109643

IUPACN-benzyl-1-[(3-bromophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1ccccc1)C1CC(=O)N(Cc2cccc(Br)c2)C1
InChIInChI=1S/C19H19BrN2O2/c20-17-8-4-7-15(9-17)12-22-13-16(10-18(22)23)19(24)21-11-14-5-2-1-3-6-14/h1-9,16H,10-13H2,(H,21,24)
InChIKeyUCJHNFVDRMQDAA-UHFFFAOYSA-N
MW387.28 g/mol
LogP3.11
Rot. Bonds5

About N-benzyl-1-[(3-bromophenyl)methyl]-5-oxopyrrolidine-3-carboxamide

N-benzyl-1-[(3-bromophenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 46109643) has the molecular formula C19H19BrN2O2 and a molecular weight of 387.28 g/mol. Its IUPAC name is N-benzyl-1-[(3-bromophenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[(3-bromophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID46109643
Molecular FormulaC19H19BrN2O2
Molecular Weight387.28 g/mol
Exact Mass386.06
IUPAC NameN-benzyl-1-[(3-bromophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1ccccc1)C1CC(=O)N(Cc2cccc(Br)c2)C1
InChIInChI=1S/C19H19BrN2O2/c20-17-8-4-7-15(9-17)12-22-13-16(10-18(22)23)19(24)21-11-14-5-2-1-3-6-14/h1-9,16H,10-13H2,(H,21,24)
InChIKeyUCJHNFVDRMQDAA-UHFFFAOYSA-N
XLogP3.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(3-bromophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-benzyl-1-[(3-bromophenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 46109643) is N-benzyl-1-[(3-bromophenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-[(3-bromophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-benzyl-1-[(3-bromophenyl)methyl]-5-oxopyrrolidine-3-carboxamide is O=C(NCc1ccccc1)C1CC(=O)N(Cc2cccc(Br)c2)C1.
What is the InChIKey of N-benzyl-1-[(3-bromophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UCJHNFVDRMQDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O2/c20-17-8-4-7-15(9-17)12-22-13-16(10-18(22)23)19(24)21-11-14-5-2-1-3-6-14/h1-9,16H,10-13H2,(H,21,24).
What are the key properties of N-benzyl-1-[(3-bromophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
N-benzyl-1-[(3-bromophenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 387.28 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(3-bromophenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46109643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).