N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,4,6-trimethylbenzamide

C19H21BrN2O2 — CID 112761213

IUPACN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)NCC(=O)Nc2ccc(Br)cc2C)c(C)c1
InChIInChI=1S/C19H21BrN2O2/c1-11-7-13(3)18(14(4)8-11)19(24)21-10-17(23)22-16-6-5-15(20)9-12(16)2/h5-9H,10H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyWSABWWXQCQEVQU-UHFFFAOYSA-N
MW389.29 g/mol
LogP4.05
Rot. Bonds4

About N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,4,6-trimethylbenzamide

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,4,6-trimethylbenzamide (PubChem CID 112761213) 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]-2,4,6-trimethylbenzamide.

Molecular Properties

Compound NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,4,6-trimethylbenzamide
PubChem CID112761213
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)NCC(=O)Nc2ccc(Br)cc2C)c(C)c1
InChIInChI=1S/C19H21BrN2O2/c1-11-7-13(3)18(14(4)8-11)19(24)21-10-17(23)22-16-6-5-15(20)9-12(16)2/h5-9H,10H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyWSABWWXQCQEVQU-UHFFFAOYSA-N
XLogP4.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,5-dimethylbenzamide
CID 27781463
3-bromo-N-[2-(2,4-dimethylanilino)-2-oxoethyl]benzamide
CID 26538678
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopentene-1-carboxamide
CID 71918952
3-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]pyrazine-2-carboxamide
CID 18135661
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 27781334
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 27781440
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,2-dimethylbut-3-enamide
CID 122151383
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 27781347
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(methoxymethyl)benzamide
CID 17439988
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-ethyl-5-methylthiophene-2-carboxamide
CID 27781375
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 26070999
N-(4-bromo-2-methylphenyl)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoylamino]acetamide
CID 55485275

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,4,6-trimethylbenzamide?
The IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,4,6-trimethylbenzamide (CID 112761213) is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,4,6-trimethylbenzamide.
What is the SMILES notation for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,4,6-trimethylbenzamide?
The canonical SMILES for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,4,6-trimethylbenzamide is Cc1cc(C)c(C(=O)NCC(=O)Nc2ccc(Br)cc2C)c(C)c1.
What is the InChIKey of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,4,6-trimethylbenzamide?
The InChIKey is WSABWWXQCQEVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-11-7-13(3)18(14(4)8-11)19(24)21-10-17(23)22-16-6-5-15(20)9-12(16)2/h5-9H,10H2,1-4H3,(H,21,24)(H,22,23).
What are the key properties of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,4,6-trimethylbenzamide?
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,4,6-trimethylbenzamide has a molecular weight of 389.29 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 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]-2,4,6-trimethylbenzamide is sourced from PubChem (CID 112761213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).