N-[(2-bromophenyl)methyl]-2-(4-phenylphenoxy)acetamide

C21H18BrNO2 — CID 54245527

IUPACN-[(2-bromophenyl)methyl]-2-(4-phenylphenoxy)acetamide
SMILESO=C(COc1ccc(-c2ccccc2)cc1)NCc1ccccc1Br
InChIInChI=1S/C21H18BrNO2/c22-20-9-5-4-8-18(20)14-23-21(24)15-25-19-12-10-17(11-13-19)16-6-2-1-3-7-16/h1-13H,14-15H2,(H,23,24)
InChIKeyQTAJPNSYWCGCRJ-UHFFFAOYSA-N
MW396.28 g/mol
LogP4.81
Rot. Bonds6

About N-[(2-bromophenyl)methyl]-2-(4-phenylphenoxy)acetamide

N-[(2-bromophenyl)methyl]-2-(4-phenylphenoxy)acetamide (PubChem CID 54245527) has the molecular formula C21H18BrNO2 and a molecular weight of 396.28 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-2-(4-phenylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-2-(4-phenylphenoxy)acetamide
PubChem CID54245527
Molecular FormulaC21H18BrNO2
Molecular Weight396.28 g/mol
Exact Mass395.05
IUPAC NameN-[(2-bromophenyl)methyl]-2-(4-phenylphenoxy)acetamide
SMILESO=C(COc1ccc(-c2ccccc2)cc1)NCc1ccccc1Br
InChIInChI=1S/C21H18BrNO2/c22-20-9-5-4-8-18(20)14-23-21(24)15-25-19-12-10-17(11-13-19)16-6-2-1-3-7-16/h1-13H,14-15H2,(H,23,24)
InChIKeyQTAJPNSYWCGCRJ-UHFFFAOYSA-N
XLogP4.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.28
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 2302649
N-(2-Methoxy-benzyl)-2-p-tolyloxy-acetamide
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N-(2-Methyl-benzyl)-2-phenoxy-acetamide
CID 778125
2-(4-Isopropyl-phenoxy)-N-(1-phenyl-ethyl)-acetamide
CID 2788031
2-{4-bromo-2-[(cyclohexylamino)methyl]phenoxy}-N-(2-phenylethyl)acetamide
CID 2242388
2-(4-bromo-3-methylphenoxy)-N-[(2-methoxyphenyl)methyl]acetamide
CID 1101341
N-[(4-methylphenyl)methyl]-2-(2-phenylphenoxy)acetamide
CID 2476598
N-(1-benzylpiperidin-4-yl)-2-(4-bromo-2-fluorophenoxy)acetamide
CID 4779931
N-(1-phenylethyl)-2-(2-phenylphenoxy)acetamide
CID 4878277
2-{5-bromo-2-methoxy-4-[(propylamino)methyl]phenoxy}-N-(2-phenylethyl)acetamide
CID 7027057
2-{4-bromo-2-[(propylamino)methyl]phenoxy}-N-(2-phenylethyl)acetamide
CID 7027059
N-(1-benzylpiperidin-4-yl)-2-(4-bromophenoxy)propanamide
CID 24979309

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-2-(4-phenylphenoxy)acetamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-2-(4-phenylphenoxy)acetamide (CID 54245527) is N-[(2-bromophenyl)methyl]-2-(4-phenylphenoxy)acetamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-2-(4-phenylphenoxy)acetamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-2-(4-phenylphenoxy)acetamide is O=C(COc1ccc(-c2ccccc2)cc1)NCc1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)methyl]-2-(4-phenylphenoxy)acetamide?
The InChIKey is QTAJPNSYWCGCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrNO2/c22-20-9-5-4-8-18(20)14-23-21(24)15-25-19-12-10-17(11-13-19)16-6-2-1-3-7-16/h1-13H,14-15H2,(H,23,24).
What are the key properties of N-[(2-bromophenyl)methyl]-2-(4-phenylphenoxy)acetamide?
N-[(2-bromophenyl)methyl]-2-(4-phenylphenoxy)acetamide has a molecular weight of 396.28 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-2-(4-phenylphenoxy)acetamide is sourced from PubChem (CID 54245527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).