N-[(4-bromophenyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide

C20H21BrN2O2 — CID 9159383

IUPACN-[(4-bromophenyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)c1cccc(CN2CCCC2=O)c1
InChIInChI=1S/C20H21BrN2O2/c1-22(13-15-7-9-18(21)10-8-15)20(25)17-5-2-4-16(12-17)14-23-11-3-6-19(23)24/h2,4-5,7-10,12H,3,6,11,13-14H2,1H3
InChIKeyPSVXGVZLSUERPE-UHFFFAOYSA-N
MW401.30 g/mol
LogP3.84
Rot. Bonds5

About N-[(4-bromophenyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide

N-[(4-bromophenyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 9159383) has the molecular formula C20H21BrN2O2 and a molecular weight of 401.30 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
PubChem CID9159383
Molecular FormulaC20H21BrN2O2
Molecular Weight401.30 g/mol
Exact Mass400.08
IUPAC NameN-[(4-bromophenyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)c1cccc(CN2CCCC2=O)c1
InChIInChI=1S/C20H21BrN2O2/c1-22(13-15-7-9-18(21)10-8-15)20(25)17-5-2-4-16(12-17)14-23-11-3-6-19(23)24/h2,4-5,7-10,12H,3,6,11,13-14H2,1H3
InChIKeyPSVXGVZLSUERPE-UHFFFAOYSA-N
XLogP3.84
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.30
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9277349
N-[(2-hydroxycyclohexyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 110003976
N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9476686
N-[(4-bromophenyl)methyl]-3-(chloromethyl)-N-methylbenzamide
CID 43346454
3-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzamide
CID 31145203
N-ethyl-3-[(2-oxopyrrolidin-1-yl)methyl]-N-pentan-3-ylbenzamide
CID 126804160
1-[(3-bromophenyl)methyl]pyrrolidin-2-one
CID 61414137
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 46584276
1-[[3-(bromomethyl)phenyl]methyl]pyrrolidin-2-one
CID 164596581
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 32757723
1-[(4-fluorophenyl)methyl]-1-methyl-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea
CID 60614515
1,2-dimethyl-1-[(4-methylphenyl)methyl]-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine
CID 111289203

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide (CID 9159383) is N-[(4-bromophenyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide is CN(Cc1ccc(Br)cc1)C(=O)c1cccc(CN2CCCC2=O)c1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is PSVXGVZLSUERPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O2/c1-22(13-15-7-9-18(21)10-8-15)20(25)17-5-2-4-16(12-17)14-23-11-3-6-19(23)24/h2,4-5,7-10,12H,3,6,11,13-14H2,1H3.
What are the key properties of N-[(4-bromophenyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
N-[(4-bromophenyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 401.30 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 9159383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).