2-(4-bromophenyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide

C23H22BrNO2 — CID 55694421

IUPAC2-(4-bromophenyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide
SMILESO=C(Cc1ccc(Br)cc1)NCc1ccccc1COCc1ccccc1
InChIInChI=1S/C23H22BrNO2/c24-22-12-10-18(11-13-22)14-23(26)25-15-20-8-4-5-9-21(20)17-27-16-19-6-2-1-3-7-19/h1-13H,14-17H2,(H,25,26)
InChIKeyAZLWFRWZKPQDJY-UHFFFAOYSA-N
MW424.34 g/mol
LogP5.02
Rot. Bonds8

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

2-(4-bromophenyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide (PubChem CID 55694421) has the molecular formula C23H22BrNO2 and a molecular weight of 424.34 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide
PubChem CID55694421
Molecular FormulaC23H22BrNO2
Molecular Weight424.34 g/mol
Exact Mass423.08
IUPAC Name2-(4-bromophenyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide
SMILESO=C(Cc1ccc(Br)cc1)NCc1ccccc1COCc1ccccc1
InChIInChI=1S/C23H22BrNO2/c24-22-12-10-18(11-13-22)14-23(26)25-15-20-8-4-5-9-21(20)17-27-16-19-6-2-1-3-7-19/h1-13H,14-17H2,(H,25,26)
InChIKeyAZLWFRWZKPQDJY-UHFFFAOYSA-N
XLogP5.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.34
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[[2-(phenylmethoxymethyl)phenyl]methyl]furan-2-carboxamide
CID 46465244
3-amino-N-[[2-(phenylmethoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 119286417
2-(2-methylphenyl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 46464858
methyl (2R)-2-methyl-4-oxo-4-[[2-(phenylmethoxymethyl)phenyl]methylamino]butanoate
CID 97019366
2-(N-ethylanilino)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 60512306
2-[4-[(4-bromophenyl)methoxymethyl]phenyl]acetic acid
CID 105345019
1-(2-hydroxyethyl)-3-[[2-(phenylmethoxymethyl)phenyl]methyl]urea
CID 110894223
(2R)-2-amino-N-[[2-(phenylmethoxymethyl)phenyl]methyl]propanamide
CID 119286428
4-amino-3-methoxy-N-[[2-(phenylmethoxymethyl)phenyl]methyl]butanamide;hydrochloride
CID 120588541
N-[(4-bromophenyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 78948071
2,4,5-trimethyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]furan-3-carboxamide
CID 46456653
4-(benzenesulfonylmethyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]benzamide
CID 55762787

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide (CID 55694421) is 2-(4-bromophenyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide is O=C(Cc1ccc(Br)cc1)NCc1ccccc1COCc1ccccc1.
What is the InChIKey of 2-(4-bromophenyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide?
The InChIKey is AZLWFRWZKPQDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrNO2/c24-22-12-10-18(11-13-22)14-23(26)25-15-20-8-4-5-9-21(20)17-27-16-19-6-2-1-3-7-19/h1-13H,14-17H2,(H,25,26).
What are the key properties of 2-(4-bromophenyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide?
2-(4-bromophenyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide has a molecular weight of 424.34 g/mol, XLogP of 5.02, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 55694421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).