3-[(2-bromophenoxy)methyl]-N-[1-(4-propan-2-ylphenyl)propyl]benzamide

C26H28BrNO2 — CID 4766623

IUPAC3-[(2-bromophenoxy)methyl]-N-[1-(4-propan-2-ylphenyl)propyl]benzamide
SMILESCCC(NC(=O)c1cccc(COc2ccccc2Br)c1)c1ccc(C(C)C)cc1
InChIInChI=1S/C26H28BrNO2/c1-4-24(21-14-12-20(13-15-21)18(2)3)28-26(29)22-9-7-8-19(16-22)17-30-25-11-6-5-10-23(25)27/h5-16,18,24H,4,17H2,1-3H3,(H,28,29)
InChIKeyWWIZJFAXKRYBNU-UHFFFAOYSA-N
MW466.42 g/mol
LogP7.03
Rot. Bonds8

About 3-[(2-bromophenoxy)methyl]-N-[1-(4-propan-2-ylphenyl)propyl]benzamide

3-[(2-bromophenoxy)methyl]-N-[1-(4-propan-2-ylphenyl)propyl]benzamide (PubChem CID 4766623) has the molecular formula C26H28BrNO2 and a molecular weight of 466.42 g/mol. Its IUPAC name is 3-[(2-bromophenoxy)methyl]-N-[1-(4-propan-2-ylphenyl)propyl]benzamide.

Molecular Properties

Compound Name3-[(2-bromophenoxy)methyl]-N-[1-(4-propan-2-ylphenyl)propyl]benzamide
PubChem CID4766623
Molecular FormulaC26H28BrNO2
Molecular Weight466.42 g/mol
Exact Mass465.13
IUPAC Name3-[(2-bromophenoxy)methyl]-N-[1-(4-propan-2-ylphenyl)propyl]benzamide
SMILESCCC(NC(=O)c1cccc(COc2ccccc2Br)c1)c1ccc(C(C)C)cc1
InChIInChI=1S/C26H28BrNO2/c1-4-24(21-14-12-20(13-15-21)18(2)3)28-26(29)22-9-7-8-19(16-22)17-30-25-11-6-5-10-23(25)27/h5-16,18,24H,4,17H2,1-3H3,(H,28,29)
InChIKeyWWIZJFAXKRYBNU-UHFFFAOYSA-N
XLogP7.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.42
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-bromophenoxy)methyl]-N-[1-(4-propan-2-ylphenyl)propyl]benzamide
CID 4055006
3-[(4-chlorophenoxy)methyl]-N-[1-(4-propan-2-ylphenyl)propyl]benzamide
CID 3392443
3-phenylmethoxy-N-[(1S)-1-phenylpropyl]benzamide
CID 93234582
N-[(1S)-1-(4-methoxyphenyl)propyl]-3-phenylmethoxybenzamide
CID 38005412
3-(naphthalen-1-yloxymethyl)-N-propan-2-ylbenzamide
CID 891835
N-(1-phenylpropyl)-4-propan-2-ylbenzamide
CID 17327920
4-bromo-3-phenylmethoxy-N-propan-2-ylbenzamide
CID 146673288
3-[(4-propan-2-ylphenoxy)methyl]benzohydrazide
CID 840752
3-hydroxy-N-(1-phenylpropyl)benzamide
CID 55057527
N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-3-phenylmethoxybenzamide
CID 100568849
N-[(1S)-1-(4-bromophenyl)propyl]benzamide
CID 26776311
3-[(2-bromophenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]benzamide
CID 19290622

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenoxy)methyl]-N-[1-(4-propan-2-ylphenyl)propyl]benzamide?
The IUPAC name of 3-[(2-bromophenoxy)methyl]-N-[1-(4-propan-2-ylphenyl)propyl]benzamide (CID 4766623) is 3-[(2-bromophenoxy)methyl]-N-[1-(4-propan-2-ylphenyl)propyl]benzamide.
What is the SMILES notation for 3-[(2-bromophenoxy)methyl]-N-[1-(4-propan-2-ylphenyl)propyl]benzamide?
The canonical SMILES for 3-[(2-bromophenoxy)methyl]-N-[1-(4-propan-2-ylphenyl)propyl]benzamide is CCC(NC(=O)c1cccc(COc2ccccc2Br)c1)c1ccc(C(C)C)cc1.
What is the InChIKey of 3-[(2-bromophenoxy)methyl]-N-[1-(4-propan-2-ylphenyl)propyl]benzamide?
The InChIKey is WWIZJFAXKRYBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28BrNO2/c1-4-24(21-14-12-20(13-15-21)18(2)3)28-26(29)22-9-7-8-19(16-22)17-30-25-11-6-5-10-23(25)27/h5-16,18,24H,4,17H2,1-3H3,(H,28,29).
What are the key properties of 3-[(2-bromophenoxy)methyl]-N-[1-(4-propan-2-ylphenyl)propyl]benzamide?
3-[(2-bromophenoxy)methyl]-N-[1-(4-propan-2-ylphenyl)propyl]benzamide has a molecular weight of 466.42 g/mol, XLogP of 7.03, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenoxy)methyl]-N-[1-(4-propan-2-ylphenyl)propyl]benzamide is sourced from PubChem (CID 4766623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).