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

C20H23BrN2O3 — CID 17204545

IUPACN-[3-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]phenyl]-2,2-dimethylpropanamide
SMILESCc1cc(OCC(=O)Nc2cccc(NC(=O)C(C)(C)C)c2)ccc1Br
InChIInChI=1S/C20H23BrN2O3/c1-13-10-16(8-9-17(13)21)26-12-18(24)22-14-6-5-7-15(11-14)23-19(25)20(2,3)4/h5-11H,12H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyGZBARGSNNWTGNF-UHFFFAOYSA-N
MW419.32 g/mol
LogP4.76
Rot. Bonds5

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

N-[3-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]phenyl]-2,2-dimethylpropanamide (PubChem CID 17204545) has the molecular formula C20H23BrN2O3 and a molecular weight of 419.32 g/mol. Its IUPAC name is N-[3-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]phenyl]-2,2-dimethylpropanamide
PubChem CID17204545
Molecular FormulaC20H23BrN2O3
Molecular Weight419.32 g/mol
Exact Mass418.09
IUPAC NameN-[3-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]phenyl]-2,2-dimethylpropanamide
SMILESCc1cc(OCC(=O)Nc2cccc(NC(=O)C(C)(C)C)c2)ccc1Br
InChIInChI=1S/C20H23BrN2O3/c1-13-10-16(8-9-17(13)21)26-12-18(24)22-14-6-5-7-15(11-14)23-19(25)20(2,3)4/h5-11H,12H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyGZBARGSNNWTGNF-UHFFFAOYSA-N
XLogP4.76
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.32
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-3-methylphenoxy)-N-(3-butoxyphenyl)acetamide
CID 17095041
N-[3-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 17204542
2-(4-bromo-3-methylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 1010190
N-[3-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]-2,2-dimethylpropanamide
CID 18870351
4-[[2-[3-(2,2-dimethylpropanoylamino)phenoxy]acetyl]amino]benzoic acid
CID 18870384
N-(4-bromo-3-methylphenyl)-2-(3-methylphenoxy)acetamide;oxalic acid
CID 171154742
N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl]propanamide
CID 17188267
2-ethoxyethyl 3-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]benzoate
CID 19171918
3-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 17221937
N-(4-bromo-3-methylphenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 7467598
2-(4-bromo-3-formylphenoxy)-N-(3-methylphenyl)acetamide
CID 81494354
(4-bromophenyl) 2-[3-(2,2-dimethylpropanoylamino)phenoxy]acetate
CID 18870358

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]phenyl]-2,2-dimethylpropanamide (CID 17204545) is N-[3-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]phenyl]-2,2-dimethylpropanamide is Cc1cc(OCC(=O)Nc2cccc(NC(=O)C(C)(C)C)c2)ccc1Br.
What is the InChIKey of N-[3-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]phenyl]-2,2-dimethylpropanamide?
The InChIKey is GZBARGSNNWTGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O3/c1-13-10-16(8-9-17(13)21)26-12-18(24)22-14-6-5-7-15(11-14)23-19(25)20(2,3)4/h5-11H,12H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]phenyl]-2,2-dimethylpropanamide?
N-[3-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]phenyl]-2,2-dimethylpropanamide has a molecular weight of 419.32 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 17204545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).