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

C19H18BrClN2O2 — CID 4301432

IUPAC5-bromo-2-chloro-N-(4-methylphenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCc1ccc(N(CN2CCCC2=O)C(=O)c2cc(Br)ccc2Cl)cc1
InChIInChI=1S/C19H18BrClN2O2/c1-13-4-7-15(8-5-13)23(12-22-10-2-3-18(22)24)19(25)16-11-14(20)6-9-17(16)21/h4-9,11H,2-3,10,12H2,1H3
InChIKeyOCJNEPIYMXSYDP-UHFFFAOYSA-N
MW421.72 g/mol
LogP4.64
Rot. Bonds4

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

5-bromo-2-chloro-N-(4-methylphenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 4301432) has the molecular formula C19H18BrClN2O2 and a molecular weight of 421.72 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(4-methylphenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(4-methylphenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
PubChem CID4301432
Molecular FormulaC19H18BrClN2O2
Molecular Weight421.72 g/mol
Exact Mass420.02
IUPAC Name5-bromo-2-chloro-N-(4-methylphenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCc1ccc(N(CN2CCCC2=O)C(=O)c2cc(Br)ccc2Cl)cc1
InChIInChI=1S/C19H18BrClN2O2/c1-13-4-7-15(8-5-13)23(12-22-10-2-3-18(22)24)19(25)16-11-14(20)6-9-17(16)21/h4-9,11H,2-3,10,12H2,1H3
InChIKeyOCJNEPIYMXSYDP-UHFFFAOYSA-N
XLogP4.64
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.72
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 5076112
3-methyl-N-(4-methylphenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 3340241
N-(3-chloro-4-methylphenyl)-4-fluoro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4099523
N-(4-fluorophenyl)-3,4-dimethyl-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 3244651
4-chloro-3-nitro-N-(4-nitrophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4098524
5-chloro-N-(3-chlorophenyl)-2-methoxy-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4582519
N-(3-chloro-4-fluorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-(trifluoromethyl)benzamide
CID 4175486
5-bromo-N-(3-chloro-4-fluorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]furan-2-carboxamide
CID 4148078
2-bromo-N-(4-nitrophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4275302
N-[(2-oxopyrrolidin-1-yl)methyl]-N,4-diphenylbenzamide
CID 4682478
2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-5-nitro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4092926
4-chloro-N-(3-chlorophenyl)-3-nitro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 3576394

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(4-methylphenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-(4-methylphenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide (CID 4301432) is 5-bromo-2-chloro-N-(4-methylphenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(4-methylphenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-(4-methylphenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide is Cc1ccc(N(CN2CCCC2=O)C(=O)c2cc(Br)ccc2Cl)cc1.
What is the InChIKey of 5-bromo-2-chloro-N-(4-methylphenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is OCJNEPIYMXSYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrClN2O2/c1-13-4-7-15(8-5-13)23(12-22-10-2-3-18(22)24)19(25)16-11-14(20)6-9-17(16)21/h4-9,11H,2-3,10,12H2,1H3.
What are the key properties of 5-bromo-2-chloro-N-(4-methylphenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
5-bromo-2-chloro-N-(4-methylphenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 421.72 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(4-methylphenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 4301432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).