N-[4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]phenyl]-2-methylbenzamide

C25H25BrN2O3 — CID 17251645

IUPACN-[4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(NC(=O)C(C)Oc2c(C)cc(Br)cc2C)cc1
InChIInChI=1S/C25H25BrN2O3/c1-15-7-5-6-8-22(15)25(30)28-21-11-9-20(10-12-21)27-24(29)18(4)31-23-16(2)13-19(26)14-17(23)3/h5-14,18H,1-4H3,(H,27,29)(H,28,30)
InChIKeyXOPCIIOOUCQGLV-UHFFFAOYSA-N
MW481.39 g/mol
LogP6.03
Rot. Bonds6

About N-[4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]phenyl]-2-methylbenzamide

N-[4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]phenyl]-2-methylbenzamide (PubChem CID 17251645) has the molecular formula C25H25BrN2O3 and a molecular weight of 481.39 g/mol. Its IUPAC name is N-[4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]phenyl]-2-methylbenzamide
PubChem CID17251645
Molecular FormulaC25H25BrN2O3
Molecular Weight481.39 g/mol
Exact Mass480.10
IUPAC NameN-[4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(NC(=O)C(C)Oc2c(C)cc(Br)cc2C)cc1
InChIInChI=1S/C25H25BrN2O3/c1-15-7-5-6-8-22(15)25(30)28-21-11-9-20(10-12-21)27-24(29)18(4)31-23-16(2)13-19(26)14-17(23)3/h5-14,18H,1-4H3,(H,27,29)(H,28,30)
InChIKeyXOPCIIOOUCQGLV-UHFFFAOYSA-N
XLogP6.03
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.39
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2-(4-bromo-2,6-dimethylphenoxy)propanamide
CID 4960935
4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-ethylbenzamide
CID 17234385
2-(4-bromo-2,6-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 4961087
(2S)-2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 42427236
3-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-methylbenzamide
CID 17233132
4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N,N-dipropylbenzamide
CID 17196225
5-bromo-2-methoxy-3-methyl-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide
CID 3950855
N-[4-[[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]carbamoyl]phenyl]-2-methylbenzamide
CID 4504600
4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-ethyl-N-naphthalen-1-ylbenzamide
CID 43878391
2-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-cyclohexylbenzamide
CID 4961027
N-benzyl-3-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]benzamide
CID 43887141
N'-[(2S)-2-(2,6-dimethylphenoxy)propanoyl]-2-methylbenzohydrazide
CID 9297840

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]phenyl]-2-methylbenzamide?
The IUPAC name of N-[4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]phenyl]-2-methylbenzamide (CID 17251645) is N-[4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]phenyl]-2-methylbenzamide?
The canonical SMILES for N-[4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]phenyl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccc(NC(=O)C(C)Oc2c(C)cc(Br)cc2C)cc1.
What is the InChIKey of N-[4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]phenyl]-2-methylbenzamide?
The InChIKey is XOPCIIOOUCQGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25BrN2O3/c1-15-7-5-6-8-22(15)25(30)28-21-11-9-20(10-12-21)27-24(29)18(4)31-23-16(2)13-19(26)14-17(23)3/h5-14,18H,1-4H3,(H,27,29)(H,28,30).
What are the key properties of N-[4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]phenyl]-2-methylbenzamide?
N-[4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]phenyl]-2-methylbenzamide has a molecular weight of 481.39 g/mol, XLogP of 6.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]phenyl]-2-methylbenzamide is sourced from PubChem (CID 17251645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).