N-[3-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]phenyl]-2,2-dimethylpropanamide

C20H22Br2N2O3 — CID 17204542

IUPACN-[3-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]phenyl]-2,2-dimethylpropanamide
SMILESCc1cc(Br)cc(Br)c1OCC(=O)Nc1cccc(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C20H22Br2N2O3/c1-12-8-13(21)9-16(22)18(12)27-11-17(25)23-14-6-5-7-15(10-14)24-19(26)20(2,3)4/h5-10H,11H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyQQWAICZABIGZIK-UHFFFAOYSA-N
MW498.22 g/mol
LogP5.52
Rot. Bonds5

About N-[3-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]phenyl]-2,2-dimethylpropanamide

N-[3-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]phenyl]-2,2-dimethylpropanamide (PubChem CID 17204542) has the molecular formula C20H22Br2N2O3 and a molecular weight of 498.22 g/mol. Its IUPAC name is N-[3-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]phenyl]-2,2-dimethylpropanamide
PubChem CID17204542
Molecular FormulaC20H22Br2N2O3
Molecular Weight498.22 g/mol
Exact Mass496.00
IUPAC NameN-[3-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]phenyl]-2,2-dimethylpropanamide
SMILESCc1cc(Br)cc(Br)c1OCC(=O)Nc1cccc(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C20H22Br2N2O3/c1-12-8-13(21)9-16(22)18(12)27-11-17(25)23-14-6-5-7-15(10-14)24-19(26)20(2,3)4/h5-10H,11H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyQQWAICZABIGZIK-UHFFFAOYSA-N
XLogP5.52
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.22
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 17204545
2-(2,4-dibromo-6-methylphenoxy)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 17123513
N-(3-butoxyphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 17095038
4-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzoic acid
CID 28676661
2-(4-bromo-2,6-dimethylphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 17197570
N-(2-bromophenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3249849
N-(4-bromo-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3489380
2-(2,4-dibromo-6-methylphenoxy)-N-[[3-(hydroxymethyl)phenyl]carbamothioyl]acetamide
CID 3362727
N-(3-acetylphenyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide
CID 2610777
2-(2,4-dibromo-6-methylphenoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide
CID 17097631
N-[3-chloro-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 43914828
N-benzyl-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 4504132

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]phenyl]-2,2-dimethylpropanamide (CID 17204542) is N-[3-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]phenyl]-2,2-dimethylpropanamide is Cc1cc(Br)cc(Br)c1OCC(=O)Nc1cccc(NC(=O)C(C)(C)C)c1.
What is the InChIKey of N-[3-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]phenyl]-2,2-dimethylpropanamide?
The InChIKey is QQWAICZABIGZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Br2N2O3/c1-12-8-13(21)9-16(22)18(12)27-11-17(25)23-14-6-5-7-15(10-14)24-19(26)20(2,3)4/h5-10H,11H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of N-[3-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]phenyl]-2,2-dimethylpropanamide?
N-[3-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]phenyl]-2,2-dimethylpropanamide has a molecular weight of 498.22 g/mol, XLogP of 5.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 17204542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).