methyl 5-bromo-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate

C19H20BrNO4 — CID 19168722

IUPACmethyl 5-bromo-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
SMILESCOC(=O)c1cc(Br)ccc1NC(=O)COc1ccc(C(C)C)cc1
InChIInChI=1S/C19H20BrNO4/c1-12(2)13-4-7-15(8-5-13)25-11-18(22)21-17-9-6-14(20)10-16(17)19(23)24-3/h4-10,12H,11H2,1-3H3,(H,21,22)
InChIKeyHBPWZQTZHMAQLJ-UHFFFAOYSA-N
MW406.28 g/mol
LogP4.38
Rot. Bonds6

About methyl 5-bromo-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate

methyl 5-bromo-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate (PubChem CID 19168722) has the molecular formula C19H20BrNO4 and a molecular weight of 406.28 g/mol. Its IUPAC name is methyl 5-bromo-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 5-bromo-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
PubChem CID19168722
Molecular FormulaC19H20BrNO4
Molecular Weight406.28 g/mol
Exact Mass405.06
IUPAC Namemethyl 5-bromo-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
SMILESCOC(=O)c1cc(Br)ccc1NC(=O)COc1ccc(C(C)C)cc1
InChIInChI=1S/C19H20BrNO4/c1-12(2)13-4-7-15(8-5-13)25-11-18(22)21-17-9-6-14(20)10-16(17)19(23)24-3/h4-10,12H,11H2,1-3H3,(H,21,22)
InChIKeyHBPWZQTZHMAQLJ-UHFFFAOYSA-N
XLogP4.38
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.28
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 5-bromo-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate with MolForge

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Related Compounds

N-(4-bromo-2-chlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 53267518
5-bromo-2-[[2-[4-[(2S)-butan-2-yl]phenoxy]acetyl]amino]benzoate
CID 7299900
2-(4-bromophenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 759062
methyl 5-chloro-2-methoxy-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 19170715
methyl 5-bromo-2-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]benzoate
CID 19168703
methyl 5-bromo-2-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzoate
CID 19168737
methyl 5-bromo-2-[[2-(4-methoxyphenyl)acetyl]amino]benzoate
CID 8867169
ethyl 2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 682452
5-bromo-2-(3-methylbutoxy)-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 17350845
N-(2-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 26216318
5-bromo-2-(2-methoxyethoxy)-N-[[[2-(4-propan-2-ylphenoxy)acetyl]amino]carbamothioyl]benzamide
CID 17357658
N-(4-bromo-2-iodophenyl)-2-(4-bromophenoxy)acetamide
CID 3967654

Frequently Asked Questions

What is the IUPAC name of methyl 5-bromo-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate?
The IUPAC name of methyl 5-bromo-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate (CID 19168722) is methyl 5-bromo-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate.
What is the SMILES notation for methyl 5-bromo-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate?
The canonical SMILES for methyl 5-bromo-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate is COC(=O)c1cc(Br)ccc1NC(=O)COc1ccc(C(C)C)cc1.
What is the InChIKey of methyl 5-bromo-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate?
The InChIKey is HBPWZQTZHMAQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrNO4/c1-12(2)13-4-7-15(8-5-13)25-11-18(22)21-17-9-6-14(20)10-16(17)19(23)24-3/h4-10,12H,11H2,1-3H3,(H,21,22).
What are the key properties of methyl 5-bromo-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate?
methyl 5-bromo-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate has a molecular weight of 406.28 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-bromo-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate is sourced from PubChem (CID 19168722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).