3-bromo-4-[2-(2-phenylmethoxyphenyl)ethyl]benzamide

C22H20BrNO2 — CID 18974069

IUPAC3-bromo-4-[2-(2-phenylmethoxyphenyl)ethyl]benzamide
SMILESNC(=O)c1ccc(CCc2ccccc2OCc2ccccc2)c(Br)c1
InChIInChI=1S/C22H20BrNO2/c23-20-14-19(22(24)25)13-11-17(20)10-12-18-8-4-5-9-21(18)26-15-16-6-2-1-3-7-16/h1-9,11,13-14H,10,12,15H2,(H2,24,25)
InChIKeyVMYRHZRLLKSISE-UHFFFAOYSA-N
MW410.31 g/mol
LogP4.91
Rot. Bonds7

About 3-bromo-4-[2-(2-phenylmethoxyphenyl)ethyl]benzamide

3-bromo-4-[2-(2-phenylmethoxyphenyl)ethyl]benzamide (PubChem CID 18974069) has the molecular formula C22H20BrNO2 and a molecular weight of 410.31 g/mol. Its IUPAC name is 3-bromo-4-[2-(2-phenylmethoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-[2-(2-phenylmethoxyphenyl)ethyl]benzamide
PubChem CID18974069
Molecular FormulaC22H20BrNO2
Molecular Weight410.31 g/mol
Exact Mass409.07
IUPAC Name3-bromo-4-[2-(2-phenylmethoxyphenyl)ethyl]benzamide
SMILESNC(=O)c1ccc(CCc2ccccc2OCc2ccccc2)c(Br)c1
InChIInChI=1S/C22H20BrNO2/c23-20-14-19(22(24)25)13-11-17(20)10-12-18-8-4-5-9-21(18)26-15-16-6-2-1-3-7-16/h1-9,11,13-14H,10,12,15H2,(H2,24,25)
InChIKeyVMYRHZRLLKSISE-UHFFFAOYSA-N
XLogP4.91
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.31
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2-(hydroxymethyl)phenoxy]methyl]benzamide
CID 103616898
4-methoxy-3-phenylmethoxybenzamide
CID 22467475
methyl 3-hydroxy-4-[2-(2-phenylmethoxyphenyl)ethyl]benzoate
CID 18973865
3-bromo-2-[2-(2-phenylmethoxyphenyl)ethyl]benzoic acid
CID 67659367
3-bromo-4-phenylmethoxybenzohydrazide
CID 54793170
4-(2-phenylmethoxyphenyl)butan-2-one
CID 82184665
ethyl 3-bromo-4-phenylmethoxybenzoate
CID 54793242
3-oxo-6-(2-phenylmethoxyphenyl)hexanoic acid
CID 70435741
4-[(2-bromo-4-fluorophenoxy)methyl]benzamide
CID 24526653
1-(3-bromo-4-phenylmethoxyphenyl)propan-1-one
CID 177405954
methyl 3-bromo-4-phenylmethoxybenzoate
CID 23111814
2-[2-[(3-bromophenyl)methoxy]phenyl]acetic acid
CID 80742211

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[2-(2-phenylmethoxyphenyl)ethyl]benzamide?
The IUPAC name of 3-bromo-4-[2-(2-phenylmethoxyphenyl)ethyl]benzamide (CID 18974069) is 3-bromo-4-[2-(2-phenylmethoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 3-bromo-4-[2-(2-phenylmethoxyphenyl)ethyl]benzamide?
The canonical SMILES for 3-bromo-4-[2-(2-phenylmethoxyphenyl)ethyl]benzamide is NC(=O)c1ccc(CCc2ccccc2OCc2ccccc2)c(Br)c1.
What is the InChIKey of 3-bromo-4-[2-(2-phenylmethoxyphenyl)ethyl]benzamide?
The InChIKey is VMYRHZRLLKSISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrNO2/c23-20-14-19(22(24)25)13-11-17(20)10-12-18-8-4-5-9-21(18)26-15-16-6-2-1-3-7-16/h1-9,11,13-14H,10,12,15H2,(H2,24,25).
What are the key properties of 3-bromo-4-[2-(2-phenylmethoxyphenyl)ethyl]benzamide?
3-bromo-4-[2-(2-phenylmethoxyphenyl)ethyl]benzamide has a molecular weight of 410.31 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[2-(2-phenylmethoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 18974069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).