3-bromo-N-(furan-2-ylmethyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide

C26H22BrNO3 — CID 42706159

IUPAC3-bromo-N-(furan-2-ylmethyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide
SMILESO=C(c1cccc(Br)c1)N(Cc1cccc(OCc2ccccc2)c1)Cc1ccco1
InChIInChI=1S/C26H22BrNO3/c27-23-11-5-10-22(16-23)26(29)28(18-25-13-6-14-30-25)17-21-9-4-12-24(15-21)31-19-20-7-2-1-3-8-20/h1-16H,17-19H2
InChIKeySCTUCOJOVFGKQI-UHFFFAOYSA-N
MW476.37 g/mol
LogP6.46
Rot. Bonds8

About 3-bromo-N-(furan-2-ylmethyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide

3-bromo-N-(furan-2-ylmethyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide (PubChem CID 42706159) has the molecular formula C26H22BrNO3 and a molecular weight of 476.37 g/mol. Its IUPAC name is 3-bromo-N-(furan-2-ylmethyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-(furan-2-ylmethyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide
PubChem CID42706159
Molecular FormulaC26H22BrNO3
Molecular Weight476.37 g/mol
Exact Mass475.08
IUPAC Name3-bromo-N-(furan-2-ylmethyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide
SMILESO=C(c1cccc(Br)c1)N(Cc1cccc(OCc2ccccc2)c1)Cc1ccco1
InChIInChI=1S/C26H22BrNO3/c27-23-11-5-10-22(16-23)26(29)28(18-25-13-6-14-30-25)17-21-9-4-12-24(15-21)31-19-20-7-2-1-3-8-20/h1-16H,17-19H2
InChIKeySCTUCOJOVFGKQI-UHFFFAOYSA-N
XLogP6.46
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.37
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-N-[(3-phenoxyphenyl)methyl]benzamide
CID 42705565
3-bromo-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 121084699
N-benzyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(furan-2-ylmethyl)benzamide
CID 37429508
N-(furan-2-ylmethyl)-N-[(3-phenylmethoxyphenyl)methyl]cyclohexanecarboxamide
CID 42706156
3-bromo-N-tert-butyl-N-[(3-phenylmethoxyphenyl)methyl]benzamide
CID 42706185
N-benzyl-3-chloro-N-(furan-2-ylmethyl)benzamide
CID 772869
N-(2-methylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]furan-2-carboxamide
CID 42725509
3-ethoxy-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 35526706
3-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 60654625
N-(furan-2-ylmethyl)-N-methyl-4-(phenoxymethyl)benzamide
CID 112761039
3-bromo-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 3572211
2-[furan-2-ylmethyl-[2-(3-phenylmethoxyphenyl)ethyl]amino]-N-methylacetamide
CID 59596821

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(furan-2-ylmethyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide?
The IUPAC name of 3-bromo-N-(furan-2-ylmethyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide (CID 42706159) is 3-bromo-N-(furan-2-ylmethyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide.
What is the SMILES notation for 3-bromo-N-(furan-2-ylmethyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide?
The canonical SMILES for 3-bromo-N-(furan-2-ylmethyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide is O=C(c1cccc(Br)c1)N(Cc1cccc(OCc2ccccc2)c1)Cc1ccco1.
What is the InChIKey of 3-bromo-N-(furan-2-ylmethyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide?
The InChIKey is SCTUCOJOVFGKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22BrNO3/c27-23-11-5-10-22(16-23)26(29)28(18-25-13-6-14-30-25)17-21-9-4-12-24(15-21)31-19-20-7-2-1-3-8-20/h1-16H,17-19H2.
What are the key properties of 3-bromo-N-(furan-2-ylmethyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide?
3-bromo-N-(furan-2-ylmethyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide has a molecular weight of 476.37 g/mol, XLogP of 6.46, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(furan-2-ylmethyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 42706159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).