2-bromo-5-methoxy-N-[(4-phenylmethoxyphenyl)methyl]benzamide

C22H20BrNO3 — CID 46590406

IUPAC2-bromo-5-methoxy-N-[(4-phenylmethoxyphenyl)methyl]benzamide
SMILESCOc1ccc(Br)c(C(=O)NCc2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C22H20BrNO3/c1-26-19-11-12-21(23)20(13-19)22(25)24-14-16-7-9-18(10-8-16)27-15-17-5-3-2-4-6-17/h2-13H,14-15H2,1H3,(H,24,25)
InChIKeyJTJMVGPYYMMDHO-UHFFFAOYSA-N
MW426.31 g/mol
LogP4.97
Rot. Bonds7

About 2-bromo-5-methoxy-N-[(4-phenylmethoxyphenyl)methyl]benzamide

2-bromo-5-methoxy-N-[(4-phenylmethoxyphenyl)methyl]benzamide (PubChem CID 46590406) has the molecular formula C22H20BrNO3 and a molecular weight of 426.31 g/mol. Its IUPAC name is 2-bromo-5-methoxy-N-[(4-phenylmethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-methoxy-N-[(4-phenylmethoxyphenyl)methyl]benzamide
PubChem CID46590406
Molecular FormulaC22H20BrNO3
Molecular Weight426.31 g/mol
Exact Mass425.06
IUPAC Name2-bromo-5-methoxy-N-[(4-phenylmethoxyphenyl)methyl]benzamide
SMILESCOc1ccc(Br)c(C(=O)NCc2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C22H20BrNO3/c1-26-19-11-12-21(23)20(13-19)22(25)24-14-16-7-9-18(10-8-16)27-15-17-5-3-2-4-6-17/h2-13H,14-15H2,1H3,(H,24,25)
InChIKeyJTJMVGPYYMMDHO-UHFFFAOYSA-N
XLogP4.97
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.31
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[[4-(chloromethyl)phenyl]methyl]-5-methoxybenzamide
CID 107233398
2-methoxy-N-[(4-phenylmethoxyphenyl)methyl]benzamide
CID 46586786
2-bromo-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxybenzamide
CID 27887990
2-bromo-5-methoxy-N-phenylmethoxybenzamide
CID 41248162
N'-(2-bromo-5-methoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31836951
2-bromo-N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-5-methoxybenzohydrazide
CID 2461548
2-bromo-N-[(4-methoxyphenyl)methyl]-5-sulfanylbenzamide
CID 107020380
2-bromo-N-(furan-3-ylmethyl)-5-methoxybenzamide
CID 47204815
N-[[2-(aminomethyl)phenyl]methyl]-2-bromo-5-methoxybenzamide
CID 62951377
2-bromo-5-phenylmethoxybenzoic acid
CID 15891190
3-(3-methoxyphenyl)-1-methyl-N-[(4-phenylmethoxyphenyl)methyl]pyrazole-5-carboxamide
CID 121088744
2-[(2-bromobenzoyl)amino]-N-[(4-methoxyphenyl)methyl]benzamide
CID 26549860

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxy-N-[(4-phenylmethoxyphenyl)methyl]benzamide?
The IUPAC name of 2-bromo-5-methoxy-N-[(4-phenylmethoxyphenyl)methyl]benzamide (CID 46590406) is 2-bromo-5-methoxy-N-[(4-phenylmethoxyphenyl)methyl]benzamide.
What is the SMILES notation for 2-bromo-5-methoxy-N-[(4-phenylmethoxyphenyl)methyl]benzamide?
The canonical SMILES for 2-bromo-5-methoxy-N-[(4-phenylmethoxyphenyl)methyl]benzamide is COc1ccc(Br)c(C(=O)NCc2ccc(OCc3ccccc3)cc2)c1.
What is the InChIKey of 2-bromo-5-methoxy-N-[(4-phenylmethoxyphenyl)methyl]benzamide?
The InChIKey is JTJMVGPYYMMDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrNO3/c1-26-19-11-12-21(23)20(13-19)22(25)24-14-16-7-9-18(10-8-16)27-15-17-5-3-2-4-6-17/h2-13H,14-15H2,1H3,(H,24,25).
What are the key properties of 2-bromo-5-methoxy-N-[(4-phenylmethoxyphenyl)methyl]benzamide?
2-bromo-5-methoxy-N-[(4-phenylmethoxyphenyl)methyl]benzamide has a molecular weight of 426.31 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxy-N-[(4-phenylmethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 46590406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).