N-[(5-bromo-2-methoxyphenyl)methyl]-4-(2-oxopyrrolidin-1-yl)benzamide

C19H19BrN2O3 — CID 20888209

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCOc1ccc(Br)cc1CNC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C19H19BrN2O3/c1-25-17-9-6-15(20)11-14(17)12-21-19(24)13-4-7-16(8-5-13)22-10-2-3-18(22)23/h4-9,11H,2-3,10,12H2,1H3,(H,21,24)
InChIKeyJIQXWRWRIJJNLH-UHFFFAOYSA-N
MW403.28 g/mol
LogP3.51
Rot. Bonds5

About N-[(5-bromo-2-methoxyphenyl)methyl]-4-(2-oxopyrrolidin-1-yl)benzamide

N-[(5-bromo-2-methoxyphenyl)methyl]-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 20888209) has the molecular formula C19H19BrN2O3 and a molecular weight of 403.28 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID20888209
Molecular FormulaC19H19BrN2O3
Molecular Weight403.28 g/mol
Exact Mass402.06
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCOc1ccc(Br)cc1CNC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C19H19BrN2O3/c1-25-17-9-6-15(20)11-14(17)12-21-19(24)13-4-7-16(8-5-13)22-10-2-3-18(22)23/h4-9,11H,2-3,10,12H2,1H3,(H,21,24)
InChIKeyJIQXWRWRIJJNLH-UHFFFAOYSA-N
XLogP3.51
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.28
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8588467
N-[(4-hydroxy-3-methoxyphenyl)methyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 75414586
N-[(5-bromo-2-methoxyphenyl)methyl]benzamide
CID 49172987
N-[(2,5-dimethoxyphenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 33101662
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
2-methoxy-5-[[[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]methyl]benzoic acid
CID 45384959
4-ethoxy-3-methoxy-N'-[4-(2-oxopyrrolidin-1-yl)benzoyl]benzohydrazide
CID 7780107
N-[[2-(methoxymethyl)phenyl]methyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 32604555
N-(2,5-dimethoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 17416795
4-methoxy-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-prop-2-enylbenzamide
CID 99948907
N-[(5-bromo-2-methoxyphenyl)methyl]-4-[(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]benzamide
CID 46272432
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 18140044

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-4-(2-oxopyrrolidin-1-yl)benzamide (CID 20888209) is N-[(5-bromo-2-methoxyphenyl)methyl]-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-4-(2-oxopyrrolidin-1-yl)benzamide is COc1ccc(Br)cc1CNC(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is JIQXWRWRIJJNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O3/c1-25-17-9-6-15(20)11-14(17)12-21-19(24)13-4-7-16(8-5-13)22-10-2-3-18(22)23/h4-9,11H,2-3,10,12H2,1H3,(H,21,24).
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[(5-bromo-2-methoxyphenyl)methyl]-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 403.28 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 20888209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).