N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,5-dimethylbenzamide

C18H19BrN2O2 — CID 27781463

IUPACN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)NCC(=O)Nc2ccc(Br)cc2C)c1
InChIInChI=1S/C18H19BrN2O2/c1-11-4-5-12(2)15(8-11)18(23)20-10-17(22)21-16-7-6-14(19)9-13(16)3/h4-9H,10H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyIAFWKADWEUDQLN-UHFFFAOYSA-N
MW375.27 g/mol
LogP3.74
Rot. Bonds4

About N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,5-dimethylbenzamide

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,5-dimethylbenzamide (PubChem CID 27781463) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,5-dimethylbenzamide
PubChem CID27781463
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)NCC(=O)Nc2ccc(Br)cc2C)c1
InChIInChI=1S/C18H19BrN2O2/c1-11-4-5-12(2)15(8-11)18(23)20-10-17(22)21-16-7-6-14(19)9-13(16)3/h4-9H,10H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyIAFWKADWEUDQLN-UHFFFAOYSA-N
XLogP3.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,4,6-trimethylbenzamide
CID 112761213
3-bromo-N-[2-(2,4-dimethylanilino)-2-oxoethyl]benzamide
CID 26538678
5-bromo-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 65306886
2-bromo-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-methoxybenzamide
CID 27781318
2-benzamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]benzamide
CID 26549746
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-methyl-1H-indazole-3-carboxamide
CID 78858960
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopentene-1-carboxamide
CID 71918952
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2,5-dimethylphenoxy)propanamide
CID 27781487
N-(4-bromo-2-methylphenyl)-5-methyl-2-(methylamino)benzamide
CID 62509130
5-bromo-2-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 65306800
2,5-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9299876
N-(4-bromo-2-methylphenyl)-2,4-dimethylbenzamide
CID 953255

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,5-dimethylbenzamide?
The IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,5-dimethylbenzamide (CID 27781463) is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,5-dimethylbenzamide.
What is the SMILES notation for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,5-dimethylbenzamide?
The canonical SMILES for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,5-dimethylbenzamide is Cc1ccc(C)c(C(=O)NCC(=O)Nc2ccc(Br)cc2C)c1.
What is the InChIKey of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,5-dimethylbenzamide?
The InChIKey is IAFWKADWEUDQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c1-11-4-5-12(2)15(8-11)18(23)20-10-17(22)21-16-7-6-14(19)9-13(16)3/h4-9H,10H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,5-dimethylbenzamide?
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,5-dimethylbenzamide has a molecular weight of 375.27 g/mol, XLogP of 3.74, 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]-2,5-dimethylbenzamide is sourced from PubChem (CID 27781463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).