N-(4-bromophenyl)-2-(3-phenoxyphenyl)acetamide

C20H16BrNO2 — CID 57394712

IUPACN-(4-bromophenyl)-2-(3-phenoxyphenyl)acetamide
SMILESO=C(Cc1cccc(Oc2ccccc2)c1)Nc1ccc(Br)cc1
InChIInChI=1S/C20H16BrNO2/c21-16-9-11-17(12-10-16)22-20(23)14-15-5-4-8-19(13-15)24-18-6-2-1-3-7-18/h1-13H,14H2,(H,22,23)
InChIKeyXWZHXEBXBMQRGN-UHFFFAOYSA-N
MW382.26 g/mol
LogP5.42
Rot. Bonds5

About N-(4-bromophenyl)-2-(3-phenoxyphenyl)acetamide

N-(4-bromophenyl)-2-(3-phenoxyphenyl)acetamide (PubChem CID 57394712) has the molecular formula C20H16BrNO2 and a molecular weight of 382.26 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(3-phenoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(3-phenoxyphenyl)acetamide
PubChem CID57394712
Molecular FormulaC20H16BrNO2
Molecular Weight382.26 g/mol
Exact Mass381.04
IUPAC NameN-(4-bromophenyl)-2-(3-phenoxyphenyl)acetamide
SMILESO=C(Cc1cccc(Oc2ccccc2)c1)Nc1ccc(Br)cc1
InChIInChI=1S/C20H16BrNO2/c21-16-9-11-17(12-10-16)22-20(23)14-15-5-4-8-19(13-15)24-18-6-2-1-3-7-18/h1-13H,14H2,(H,22,23)
InChIKeyXWZHXEBXBMQRGN-UHFFFAOYSA-N
XLogP5.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.26
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(3-phenoxyphenyl)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(3-phenoxyphenyl)acetamide (CID 57394712) is N-(4-bromophenyl)-2-(3-phenoxyphenyl)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(3-phenoxyphenyl)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(3-phenoxyphenyl)acetamide is O=C(Cc1cccc(Oc2ccccc2)c1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(3-phenoxyphenyl)acetamide?
The InChIKey is XWZHXEBXBMQRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrNO2/c21-16-9-11-17(12-10-16)22-20(23)14-15-5-4-8-19(13-15)24-18-6-2-1-3-7-18/h1-13H,14H2,(H,22,23).
What are the key properties of N-(4-bromophenyl)-2-(3-phenoxyphenyl)acetamide?
N-(4-bromophenyl)-2-(3-phenoxyphenyl)acetamide has a molecular weight of 382.26 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(3-phenoxyphenyl)acetamide is sourced from PubChem (CID 57394712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).