[4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2-bromophenoxy)acetate

C22H18BrNO5 — CID 19180167

IUPAC[4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2-bromophenoxy)acetate
SMILESCOc1ccc(NC(=O)c2ccc(OC(=O)COc3ccccc3Br)cc2)cc1
InChIInChI=1S/C22H18BrNO5/c1-27-17-12-8-16(9-13-17)24-22(26)15-6-10-18(11-7-15)29-21(25)14-28-20-5-3-2-4-19(20)23/h2-13H,14H2,1H3,(H,24,26)
InChIKeyXVVPLGGPMTWBPQ-UHFFFAOYSA-N
MW456.29 g/mol
LogP4.69
Rot. Bonds7

About [4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2-bromophenoxy)acetate

[4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2-bromophenoxy)acetate (PubChem CID 19180167) has the molecular formula C22H18BrNO5 and a molecular weight of 456.29 g/mol. Its IUPAC name is [4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2-bromophenoxy)acetate.

Molecular Properties

Compound Name[4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2-bromophenoxy)acetate
PubChem CID19180167
Molecular FormulaC22H18BrNO5
Molecular Weight456.29 g/mol
Exact Mass455.04
IUPAC Name[4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2-bromophenoxy)acetate
SMILESCOc1ccc(NC(=O)c2ccc(OC(=O)COc3ccccc3Br)cc2)cc1
InChIInChI=1S/C22H18BrNO5/c1-27-17-12-8-16(9-13-17)24-22(26)15-6-10-18(11-7-15)29-21(25)14-28-20-5-3-2-4-19(20)23/h2-13H,14H2,1H3,(H,24,26)
InChIKeyXVVPLGGPMTWBPQ-UHFFFAOYSA-N
XLogP4.69
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.29
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(4-methoxyphenoxy)acetate
CID 19179597
[4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2,3-dimethylphenoxy)acetate
CID 19180132
2-bromo-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 3704326
(4-benzamidophenyl) 2-(2-cyanophenoxy)acetate
CID 8917446
[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(2-prop-2-enylphenoxy)acetate
CID 1407145
N-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2214535
N-(2-ethoxyphenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2222263
[4-[(4-methoxyphenyl)carbamoyl]phenyl] 4-(2-bromo-4-propan-2-ylphenoxy)butanoate
CID 19206420
[4-[(4-chlorophenyl)carbamoyl]phenyl] 2-(2,4-dichlorophenoxy)acetate
CID 19179674
[4-(phenylcarbamoyl)phenyl] 2-(2-prop-2-enylphenoxy)acetate
CID 1407155
[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(3-bromophenoxy)acetate
CID 1193360
4-[[2-(4-methoxyphenoxy)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 2710766

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2-bromophenoxy)acetate?
The IUPAC name of [4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2-bromophenoxy)acetate (CID 19180167) is [4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2-bromophenoxy)acetate.
What is the SMILES notation for [4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2-bromophenoxy)acetate?
The canonical SMILES for [4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2-bromophenoxy)acetate is COc1ccc(NC(=O)c2ccc(OC(=O)COc3ccccc3Br)cc2)cc1.
What is the InChIKey of [4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2-bromophenoxy)acetate?
The InChIKey is XVVPLGGPMTWBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrNO5/c1-27-17-12-8-16(9-13-17)24-22(26)15-6-10-18(11-7-15)29-21(25)14-28-20-5-3-2-4-19(20)23/h2-13H,14H2,1H3,(H,24,26).
What are the key properties of [4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2-bromophenoxy)acetate?
[4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2-bromophenoxy)acetate has a molecular weight of 456.29 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2-bromophenoxy)acetate is sourced from PubChem (CID 19180167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).