N-[(2-bromophenyl)methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide

C19H19BrN2O2 — CID 29213246

IUPACN-[(2-bromophenyl)methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCN(Cc1ccccc1Br)C(=O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C19H19BrN2O2/c1-21(13-15-6-2-3-9-17(15)20)19(24)14-7-4-8-16(12-14)22-11-5-10-18(22)23/h2-4,6-9,12H,5,10-11,13H2,1H3
InChIKeyWZKRNZMNUIMMKB-UHFFFAOYSA-N
MW387.28 g/mol
LogP3.85
Rot. Bonds4

About N-[(2-bromophenyl)methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide

N-[(2-bromophenyl)methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 29213246) has the molecular formula C19H19BrN2O2 and a molecular weight of 387.28 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID29213246
Molecular FormulaC19H19BrN2O2
Molecular Weight387.28 g/mol
Exact Mass386.06
IUPAC NameN-[(2-bromophenyl)methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCN(Cc1ccccc1Br)C(=O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C19H19BrN2O2/c1-21(13-15-6-2-3-9-17(15)20)19(24)14-7-4-8-16(12-14)22-11-5-10-18(22)23/h2-4,6-9,12H,5,10-11,13H2,1H3
InChIKeyWZKRNZMNUIMMKB-UHFFFAOYSA-N
XLogP3.85
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide (CID 29213246) is N-[(2-bromophenyl)methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide is CN(Cc1ccccc1Br)C(=O)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is WZKRNZMNUIMMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O2/c1-21(13-15-6-2-3-9-17(15)20)19(24)14-7-4-8-16(12-14)22-11-5-10-18(22)23/h2-4,6-9,12H,5,10-11,13H2,1H3.
What are the key properties of N-[(2-bromophenyl)methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide?
N-[(2-bromophenyl)methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 387.28 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 29213246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).