2-(4-bromobenzoyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide

C26H25BrN2O3 — CID 36835375

IUPAC2-(4-bromobenzoyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
SMILESCc1cc(C)c(NC(=O)CN(C)C(=O)c2ccccc2C(=O)c2ccc(Br)cc2)c(C)c1
InChIInChI=1S/C26H25BrN2O3/c1-16-13-17(2)24(18(3)14-16)28-23(30)15-29(4)26(32)22-8-6-5-7-21(22)25(31)19-9-11-20(27)12-10-19/h5-14H,15H2,1-4H3,(H,28,30)
InChIKeyDFWORSGHAFCIML-UHFFFAOYSA-N
MW493.40 g/mol
LogP5.32
Rot. Bonds6

About 2-(4-bromobenzoyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide

2-(4-bromobenzoyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide (PubChem CID 36835375) has the molecular formula C26H25BrN2O3 and a molecular weight of 493.40 g/mol. Its IUPAC name is 2-(4-bromobenzoyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide.

Molecular Properties

Compound Name2-(4-bromobenzoyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
PubChem CID36835375
Molecular FormulaC26H25BrN2O3
Molecular Weight493.40 g/mol
Exact Mass492.10
IUPAC Name2-(4-bromobenzoyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
SMILESCc1cc(C)c(NC(=O)CN(C)C(=O)c2ccccc2C(=O)c2ccc(Br)cc2)c(C)c1
InChIInChI=1S/C26H25BrN2O3/c1-16-13-17(2)24(18(3)14-16)28-23(30)15-29(4)26(32)22-8-6-5-7-21(22)25(31)19-9-11-20(27)12-10-19/h5-14H,15H2,1-4H3,(H,28,30)
InChIKeyDFWORSGHAFCIML-UHFFFAOYSA-N
XLogP5.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.40
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromobenzoyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide with MolForge

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Related Compounds

2-(3,4-dimethylbenzoyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 36835377
2-methoxy-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 27783988
N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-(trifluoromethyl)benzamide
CID 27783992
4-bromo-N-[3-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-3-oxopropyl]benzamide
CID 26714808
N-methyl-2-(N-methylanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 55736891
4-chloro-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 27783986
2-bromo-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 8500775
2-(4-bromobenzoyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide
CID 36943976
2,3,4,5-tetrafluoro-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 29427521
4-cyano-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 7478620
3-iodo-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 27784015
4-(diethylamino)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 9150031

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromobenzoyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?
The IUPAC name of 2-(4-bromobenzoyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide (CID 36835375) is 2-(4-bromobenzoyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide.
What is the SMILES notation for 2-(4-bromobenzoyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?
The canonical SMILES for 2-(4-bromobenzoyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide is Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccccc2C(=O)c2ccc(Br)cc2)c(C)c1.
What is the InChIKey of 2-(4-bromobenzoyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?
The InChIKey is DFWORSGHAFCIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25BrN2O3/c1-16-13-17(2)24(18(3)14-16)28-23(30)15-29(4)26(32)22-8-6-5-7-21(22)25(31)19-9-11-20(27)12-10-19/h5-14H,15H2,1-4H3,(H,28,30).
What are the key properties of 2-(4-bromobenzoyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?
2-(4-bromobenzoyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide has a molecular weight of 493.40 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromobenzoyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide is sourced from PubChem (CID 36835375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).