3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N-ethylbenzamide

C18H19BrN2O3 — CID 17230671

IUPAC3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NC(=O)COc2ccc(C)cc2Br)c1
InChIInChI=1S/C18H19BrN2O3/c1-3-20-18(23)13-5-4-6-14(10-13)21-17(22)11-24-16-8-7-12(2)9-15(16)19/h4-10H,3,11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyLKTFBWFRTHCCOU-UHFFFAOYSA-N
MW391.27 g/mol
LogP3.52
Rot. Bonds6

About 3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N-ethylbenzamide

3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N-ethylbenzamide (PubChem CID 17230671) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is 3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N-ethylbenzamide.

Molecular Properties

Compound Name3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N-ethylbenzamide
PubChem CID17230671
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC Name3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NC(=O)COc2ccc(C)cc2Br)c1
InChIInChI=1S/C18H19BrN2O3/c1-3-20-18(23)13-5-4-6-14(10-13)21-17(22)11-24-16-8-7-12(2)9-15(16)19/h4-10H,3,11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyLKTFBWFRTHCCOU-UHFFFAOYSA-N
XLogP3.52
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N-propylbenzamide
CID 17222636
3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]-N-ethylbenzamide
CID 17230760
3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 17231792
3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164499
2-ethoxyethyl 3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]benzoate
CID 19166247
N-butyl-3-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide
CID 17196920
3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-propylbenzamide
CID 17222658
2-(2-bromo-4-methylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 1008619
3-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]-N-ethylbenzamide
CID 26000335
N-butyl-3-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzamide
CID 17196875
3-bromo-4-[2-(3-methylanilino)-2-oxoethoxy]benzoic acid
CID 8707266
methyl 3-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethoxy]-4-methylbenzoate
CID 55561380

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N-ethylbenzamide?
The IUPAC name of 3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N-ethylbenzamide (CID 17230671) is 3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N-ethylbenzamide.
What is the SMILES notation for 3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N-ethylbenzamide?
The canonical SMILES for 3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N-ethylbenzamide is CCNC(=O)c1cccc(NC(=O)COc2ccc(C)cc2Br)c1.
What is the InChIKey of 3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N-ethylbenzamide?
The InChIKey is LKTFBWFRTHCCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c1-3-20-18(23)13-5-4-6-14(10-13)21-17(22)11-24-16-8-7-12(2)9-15(16)19/h4-10H,3,11H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N-ethylbenzamide?
3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N-ethylbenzamide has a molecular weight of 391.27 g/mol, XLogP of 3.52, 6 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-methylphenoxy)acetyl]amino]-N-ethylbenzamide is sourced from PubChem (CID 17230671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).