3-bromo-N-[1-(2,4-dimethylphenyl)ethyl]-4-methylbenzamide

C18H20BrNO — CID 81457779

IUPAC3-bromo-N-[1-(2,4-dimethylphenyl)ethyl]-4-methylbenzamide
SMILESCc1ccc(C(C)NC(=O)c2ccc(C)c(Br)c2)c(C)c1
InChIInChI=1S/C18H20BrNO/c1-11-5-8-16(13(3)9-11)14(4)20-18(21)15-7-6-12(2)17(19)10-15/h5-10,14H,1-4H3,(H,20,21)
InChIKeyWRSCOMLMXMDTQQ-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.87
Rot. Bonds3

About 3-bromo-N-[1-(2,4-dimethylphenyl)ethyl]-4-methylbenzamide

3-bromo-N-[1-(2,4-dimethylphenyl)ethyl]-4-methylbenzamide (PubChem CID 81457779) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is 3-bromo-N-[1-(2,4-dimethylphenyl)ethyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[1-(2,4-dimethylphenyl)ethyl]-4-methylbenzamide
PubChem CID81457779
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC Name3-bromo-N-[1-(2,4-dimethylphenyl)ethyl]-4-methylbenzamide
SMILESCc1ccc(C(C)NC(=O)c2ccc(C)c(Br)c2)c(C)c1
InChIInChI=1S/C18H20BrNO/c1-11-5-8-16(13(3)9-11)14(4)20-18(21)15-7-6-12(2)17(19)10-15/h5-10,14H,1-4H3,(H,20,21)
InChIKeyWRSCOMLMXMDTQQ-UHFFFAOYSA-N
XLogP4.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dibromo-N-[1-(2,4-dimethylphenyl)ethyl]benzamide
CID 107951625
N-[(2R)-1-amino-1-oxopropan-2-yl]-3-bromo-4-methylbenzamide
CID 171390408
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 39854513
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 93487088
N-[1-(2,4-dimethylphenyl)ethyl]-3,5-dimethoxybenzamide
CID 17327516
4-amino-N-[1-(2,5-dimethylphenyl)ethyl]-3-methylbenzamide
CID 43713071
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-ethoxybenzamide
CID 94843664
N-[1-(2,4-dimethylphenyl)ethyl]-5-methylthiophene-3-carboxamide
CID 17327781
5-bromo-N-[1-(2,4-dimethylphenyl)ethyl]pyridine-2-carboxamide
CID 62954221
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-(methanesulfonamido)benzamide
CID 92684176
3-bromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide
CID 17327144
3-bromo-N-[1-(2,6-difluorophenyl)ethyl]-4-methylbenzamide
CID 81457778

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(2,4-dimethylphenyl)ethyl]-4-methylbenzamide?
The IUPAC name of 3-bromo-N-[1-(2,4-dimethylphenyl)ethyl]-4-methylbenzamide (CID 81457779) is 3-bromo-N-[1-(2,4-dimethylphenyl)ethyl]-4-methylbenzamide.
What is the SMILES notation for 3-bromo-N-[1-(2,4-dimethylphenyl)ethyl]-4-methylbenzamide?
The canonical SMILES for 3-bromo-N-[1-(2,4-dimethylphenyl)ethyl]-4-methylbenzamide is Cc1ccc(C(C)NC(=O)c2ccc(C)c(Br)c2)c(C)c1.
What is the InChIKey of 3-bromo-N-[1-(2,4-dimethylphenyl)ethyl]-4-methylbenzamide?
The InChIKey is WRSCOMLMXMDTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO/c1-11-5-8-16(13(3)9-11)14(4)20-18(21)15-7-6-12(2)17(19)10-15/h5-10,14H,1-4H3,(H,20,21).
What are the key properties of 3-bromo-N-[1-(2,4-dimethylphenyl)ethyl]-4-methylbenzamide?
3-bromo-N-[1-(2,4-dimethylphenyl)ethyl]-4-methylbenzamide has a molecular weight of 346.27 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-(2,4-dimethylphenyl)ethyl]-4-methylbenzamide is sourced from PubChem (CID 81457779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).