N-[3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide

C20H23BrN2O3 — CID 17189191

IUPACN-[3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide
SMILESCCc1ccc(OCC(=O)Nc2cccc(NC(=O)C(C)C)c2)c(Br)c1
InChIInChI=1S/C20H23BrN2O3/c1-4-14-8-9-18(17(21)10-14)26-12-19(24)22-15-6-5-7-16(11-15)23-20(25)13(2)3/h5-11,13H,4,12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyLRXQIXOIGYHKHK-UHFFFAOYSA-N
MW419.32 g/mol
LogP4.62
Rot. Bonds7

About N-[3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide

N-[3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide (PubChem CID 17189191) has the molecular formula C20H23BrN2O3 and a molecular weight of 419.32 g/mol. Its IUPAC name is N-[3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide
PubChem CID17189191
Molecular FormulaC20H23BrN2O3
Molecular Weight419.32 g/mol
Exact Mass418.09
IUPAC NameN-[3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide
SMILESCCc1ccc(OCC(=O)Nc2cccc(NC(=O)C(C)C)c2)c(Br)c1
InChIInChI=1S/C20H23BrN2O3/c1-4-14-8-9-18(17(21)10-14)26-12-19(24)22-15-6-5-7-16(11-15)23-20(25)13(2)3/h5-11,13H,4,12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyLRXQIXOIGYHKHK-UHFFFAOYSA-N
XLogP4.62
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.32
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-ethylphenoxy)-N-(3-bromophenyl)acetamide
CID 19202087
N-[3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231336
methyl 3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]benzoate
CID 19201785
2-(2-bromo-4-ethylphenoxy)-N-(3-prop-2-enoxyphenyl)acetamide
CID 17086692
3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-propylbenzamide
CID 17222658
N-[3-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide
CID 17189024
4-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 26157525
N-[3-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]phenyl]-2-methylpropanamide
CID 17189164
3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-cyclohexylbenzamide
CID 17170552
3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 17221948
2-(2-bromo-4-ethylphenoxy)-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 26157958
2-methyl-N-[3-[(2-naphthalen-1-yloxyacetyl)amino]phenyl]propanamide
CID 21213308

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide?
The IUPAC name of N-[3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide (CID 17189191) is N-[3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide is CCc1ccc(OCC(=O)Nc2cccc(NC(=O)C(C)C)c2)c(Br)c1.
What is the InChIKey of N-[3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide?
The InChIKey is LRXQIXOIGYHKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O3/c1-4-14-8-9-18(17(21)10-14)26-12-19(24)22-15-6-5-7-16(11-15)23-20(25)13(2)3/h5-11,13H,4,12H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide?
N-[3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide has a molecular weight of 419.32 g/mol, XLogP of 4.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 17189191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).