3-(4-bromo-3-methylanilino)-N-(2,6-dimethylphenyl)propanamide

C18H21BrN2O — CID 109035823

IUPAC3-(4-bromo-3-methylanilino)-N-(2,6-dimethylphenyl)propanamide
SMILESCc1cc(NCCC(=O)Nc2c(C)cccc2C)ccc1Br
InChIInChI=1S/C18H21BrN2O/c1-12-5-4-6-13(2)18(12)21-17(22)9-10-20-15-7-8-16(19)14(3)11-15/h4-8,11,20H,9-10H2,1-3H3,(H,21,22)
InChIKeyQXCCQXIFLZRXPX-UHFFFAOYSA-N
MW361.28 g/mol
LogP4.82
Rot. Bonds5

About 3-(4-bromo-3-methylanilino)-N-(2,6-dimethylphenyl)propanamide

3-(4-bromo-3-methylanilino)-N-(2,6-dimethylphenyl)propanamide (PubChem CID 109035823) has the molecular formula C18H21BrN2O and a molecular weight of 361.28 g/mol. Its IUPAC name is 3-(4-bromo-3-methylanilino)-N-(2,6-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-bromo-3-methylanilino)-N-(2,6-dimethylphenyl)propanamide
PubChem CID109035823
Molecular FormulaC18H21BrN2O
Molecular Weight361.28 g/mol
Exact Mass360.08
IUPAC Name3-(4-bromo-3-methylanilino)-N-(2,6-dimethylphenyl)propanamide
SMILESCc1cc(NCCC(=O)Nc2c(C)cccc2C)ccc1Br
InChIInChI=1S/C18H21BrN2O/c1-12-5-4-6-13(2)18(12)21-17(22)9-10-20-15-7-8-16(19)14(3)11-15/h4-8,11,20H,9-10H2,1-3H3,(H,21,22)
InChIKeyQXCCQXIFLZRXPX-UHFFFAOYSA-N
XLogP4.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.28
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromo-3-methylanilino)-N-(3-fluorophenyl)propanamide
CID 109042030
3-(2,6-dimethylanilino)-N-(2,6-dimethylphenyl)propanamide
CID 109035764
3-(4-bromo-3-methylanilino)-N-(4-cyanophenyl)propanamide
CID 109042257
N-(4-bromo-3-methylphenyl)-N'-(2,6-dimethylphenyl)oxamide
CID 108532418
N-(3-acetamidophenyl)-3-(3-bromo-4-methylanilino)propanamide
CID 109039324
3-(3-acetamidoanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 109036992
2-(4-bromo-3-methylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 9099453
N-(4-bromo-3-methylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109042249
N-(4-bromo-3-methylphenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038475
N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylanilino)acetamide
CID 109007435
3-(2,6-dichloroanilino)-N-(2,6-dimethylphenyl)propanamide
CID 109035835
N-(2,6-dimethylphenyl)-3-(propan-2-ylamino)propanamide
CID 54924858

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-methylanilino)-N-(2,6-dimethylphenyl)propanamide?
The IUPAC name of 3-(4-bromo-3-methylanilino)-N-(2,6-dimethylphenyl)propanamide (CID 109035823) is 3-(4-bromo-3-methylanilino)-N-(2,6-dimethylphenyl)propanamide.
What is the SMILES notation for 3-(4-bromo-3-methylanilino)-N-(2,6-dimethylphenyl)propanamide?
The canonical SMILES for 3-(4-bromo-3-methylanilino)-N-(2,6-dimethylphenyl)propanamide is Cc1cc(NCCC(=O)Nc2c(C)cccc2C)ccc1Br.
What is the InChIKey of 3-(4-bromo-3-methylanilino)-N-(2,6-dimethylphenyl)propanamide?
The InChIKey is QXCCQXIFLZRXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O/c1-12-5-4-6-13(2)18(12)21-17(22)9-10-20-15-7-8-16(19)14(3)11-15/h4-8,11,20H,9-10H2,1-3H3,(H,21,22).
What are the key properties of 3-(4-bromo-3-methylanilino)-N-(2,6-dimethylphenyl)propanamide?
3-(4-bromo-3-methylanilino)-N-(2,6-dimethylphenyl)propanamide has a molecular weight of 361.28 g/mol, XLogP of 4.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-methylanilino)-N-(2,6-dimethylphenyl)propanamide is sourced from PubChem (CID 109035823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).