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

C18H17BrN2O2 — CID 36662906

IUPACN-(2-bromophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESO=C(Nc1ccccc1Br)c1cccc(CN2CCCC2=O)c1
InChIInChI=1S/C18H17BrN2O2/c19-15-7-1-2-8-16(15)20-18(23)14-6-3-5-13(11-14)12-21-10-4-9-17(21)22/h1-3,5-8,11H,4,9-10,12H2,(H,20,23)
InChIKeyIJVPXZJJTOCARB-UHFFFAOYSA-N
MW373.25 g/mol
LogP3.82
Rot. Bonds4

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

N-(2-bromophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 36662906) has the molecular formula C18H17BrN2O2 and a molecular weight of 373.25 g/mol. Its IUPAC name is N-(2-bromophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
PubChem CID36662906
Molecular FormulaC18H17BrN2O2
Molecular Weight373.25 g/mol
Exact Mass372.05
IUPAC NameN-(2-bromophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESO=C(Nc1ccccc1Br)c1cccc(CN2CCCC2=O)c1
InChIInChI=1S/C18H17BrN2O2/c19-15-7-1-2-8-16(15)20-18(23)14-6-3-5-13(11-14)12-21-10-4-9-17(21)22/h1-3,5-8,11H,4,9-10,12H2,(H,20,23)
InChIKeyIJVPXZJJTOCARB-UHFFFAOYSA-N
XLogP3.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chlorophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9032159
N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55750325
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 39996091
N-(2,3-dichlorophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 51219042
3-[(2-oxopyrrolidin-1-yl)methyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 51229689
2-[[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]-N-prop-2-enylbenzamide
CID 51230616
N-(2-benzamidoethyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 38231106
N-(5-bromo-2-morpholin-4-ylphenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55407073
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 134062959
N-cyclopentyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9209303
N-(2-methyl-5-nitrophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 36663059
(2S)-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]-3-phenylpropanoic acid
CID 45339810

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-(2-bromophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide (CID 36662906) is N-(2-bromophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(2-bromophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-(2-bromophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide is O=C(Nc1ccccc1Br)c1cccc(CN2CCCC2=O)c1.
What is the InChIKey of N-(2-bromophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is IJVPXZJJTOCARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O2/c19-15-7-1-2-8-16(15)20-18(23)14-6-3-5-13(11-14)12-21-10-4-9-17(21)22/h1-3,5-8,11H,4,9-10,12H2,(H,20,23).
What are the key properties of N-(2-bromophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
N-(2-bromophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 373.25 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 36662906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).