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

C23H27BrN2O3 — CID 17170552

IUPAC3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-cyclohexylbenzamide
SMILESCCc1ccc(OCC(=O)Nc2cccc(C(=O)NC3CCCCC3)c2)c(Br)c1
InChIInChI=1S/C23H27BrN2O3/c1-2-16-11-12-21(20(24)13-16)29-15-22(27)25-19-10-6-7-17(14-19)23(28)26-18-8-4-3-5-9-18/h6-7,10-14,18H,2-5,8-9,15H2,1H3,(H,25,27)(H,26,28)
InChIKeyMLOTZGSHLZNTTJ-UHFFFAOYSA-N
MW459.38 g/mol
LogP5.09
Rot. Bonds7

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

3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-cyclohexylbenzamide (PubChem CID 17170552) has the molecular formula C23H27BrN2O3 and a molecular weight of 459.38 g/mol. Its IUPAC name is 3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-cyclohexylbenzamide.

Molecular Properties

Compound Name3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-cyclohexylbenzamide
PubChem CID17170552
Molecular FormulaC23H27BrN2O3
Molecular Weight459.38 g/mol
Exact Mass458.12
IUPAC Name3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-cyclohexylbenzamide
SMILESCCc1ccc(OCC(=O)Nc2cccc(C(=O)NC3CCCCC3)c2)c(Br)c1
InChIInChI=1S/C23H27BrN2O3/c1-2-16-11-12-21(20(24)13-16)29-15-22(27)25-19-10-6-7-17(14-19)23(28)26-18-8-4-3-5-9-18/h6-7,10-14,18H,2-5,8-9,15H2,1H3,(H,25,27)(H,26,28)
InChIKeyMLOTZGSHLZNTTJ-UHFFFAOYSA-N
XLogP5.09
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.38
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]-N-cyclohexylbenzamide
CID 17189643
3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-propylbenzamide
CID 17222658
methyl 3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]benzoate
CID 19201785
2-(2-bromo-4-ethylphenoxy)-N-(3-bromophenyl)acetamide
CID 19202087
N-cyclopropyl-3-[[2-(3-ethylphenoxy)acetyl]amino]benzamide
CID 26993706
N-cyclohexyl-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzamide
CID 17170486
cyclohexyl 4-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]benzoate
CID 19201882
N-cyclohexyl-3-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 17170482
2-(2-bromo-4-ethylphenoxy)-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 26157958
N-[3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231336
N-[3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide
CID 17189191
3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 17221948

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-cyclohexylbenzamide?
The IUPAC name of 3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-cyclohexylbenzamide (CID 17170552) is 3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-cyclohexylbenzamide.
What is the SMILES notation for 3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-cyclohexylbenzamide?
The canonical SMILES for 3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-cyclohexylbenzamide is CCc1ccc(OCC(=O)Nc2cccc(C(=O)NC3CCCCC3)c2)c(Br)c1.
What is the InChIKey of 3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-cyclohexylbenzamide?
The InChIKey is MLOTZGSHLZNTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27BrN2O3/c1-2-16-11-12-21(20(24)13-16)29-15-22(27)25-19-10-6-7-17(14-19)23(28)26-18-8-4-3-5-9-18/h6-7,10-14,18H,2-5,8-9,15H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-cyclohexylbenzamide?
3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-cyclohexylbenzamide has a molecular weight of 459.38 g/mol, XLogP of 5.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-cyclohexylbenzamide is sourced from PubChem (CID 17170552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).