N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N,2,3-trimethylbenzamide

C19H21BrN2O2 — CID 26904815

IUPACN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N,2,3-trimethylbenzamide
SMILESCc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1cccc(C)c1C
InChIInChI=1S/C19H21BrN2O2/c1-12-6-5-7-16(14(12)3)19(24)22(4)11-18(23)21-17-9-8-15(20)10-13(17)2/h5-10H,11H2,1-4H3,(H,21,23)
InChIKeyVBRJQLFOQKSWLP-UHFFFAOYSA-N
MW389.29 g/mol
LogP4.09
Rot. Bonds4

About N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N,2,3-trimethylbenzamide

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N,2,3-trimethylbenzamide (PubChem CID 26904815) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N,2,3-trimethylbenzamide.

Molecular Properties

Compound NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N,2,3-trimethylbenzamide
PubChem CID26904815
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N,2,3-trimethylbenzamide
SMILESCc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1cccc(C)c1C
InChIInChI=1S/C19H21BrN2O2/c1-12-6-5-7-16(14(12)3)19(24)22(4)11-18(23)21-17-9-8-15(20)10-13(17)2/h5-10H,11H2,1-4H3,(H,21,23)
InChIKeyVBRJQLFOQKSWLP-UHFFFAOYSA-N
XLogP4.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-fluoro-N-methylbenzamide
CID 8698305
5-bromo-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-chloro-N-methylbenzamide
CID 26904812
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 24543876
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-methoxy-N-methylpyridine-3-carboxamide
CID 134034240
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide
CID 27761650
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-fluoro-N,3-dimethyl-1-benzothiophene-2-carboxamide
CID 24543825
2-bromo-N-[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide
CID 27761796
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-chloro-N-methylthiophene-2-carboxamide
CID 26678374
N-(4-bromo-2-methylphenyl)-2-[methyl-(2-methylsulfanylacetyl)amino]acetamide
CID 17407334
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-1-(2-methylpropyl)indole-3-carboxamide
CID 55914201
3-acetamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylpropanamide
CID 16583098
N-(4-bromo-2-methylphenyl)-2-[methyl(naphthalen-2-ylcarbamoyl)amino]acetamide
CID 78871865

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N,2,3-trimethylbenzamide?
The IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N,2,3-trimethylbenzamide (CID 26904815) is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N,2,3-trimethylbenzamide.
What is the SMILES notation for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N,2,3-trimethylbenzamide?
The canonical SMILES for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N,2,3-trimethylbenzamide is Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1cccc(C)c1C.
What is the InChIKey of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N,2,3-trimethylbenzamide?
The InChIKey is VBRJQLFOQKSWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-12-6-5-7-16(14(12)3)19(24)22(4)11-18(23)21-17-9-8-15(20)10-13(17)2/h5-10H,11H2,1-4H3,(H,21,23).
What are the key properties of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N,2,3-trimethylbenzamide?
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N,2,3-trimethylbenzamide has a molecular weight of 389.29 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N,2,3-trimethylbenzamide is sourced from PubChem (CID 26904815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).