4-[(4-bromophenyl)methoxy]-N-[[4-(ethylcarbamoyl)phenyl]methyl]-3-methoxybenzamide

C25H25BrN2O4 — CID 112832760

IUPAC4-[(4-bromophenyl)methoxy]-N-[[4-(ethylcarbamoyl)phenyl]methyl]-3-methoxybenzamide
SMILESCCNC(=O)c1ccc(CNC(=O)c2ccc(OCc3ccc(Br)cc3)c(OC)c2)cc1
InChIInChI=1S/C25H25BrN2O4/c1-3-27-24(29)19-8-4-17(5-9-19)15-28-25(30)20-10-13-22(23(14-20)31-2)32-16-18-6-11-21(26)12-7-18/h4-14H,3,15-16H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyAUCGOPSJZNNUPE-UHFFFAOYSA-N
MW497.39 g/mol
LogP4.72
Rot. Bonds9

About 4-[(4-bromophenyl)methoxy]-N-[[4-(ethylcarbamoyl)phenyl]methyl]-3-methoxybenzamide

4-[(4-bromophenyl)methoxy]-N-[[4-(ethylcarbamoyl)phenyl]methyl]-3-methoxybenzamide (PubChem CID 112832760) has the molecular formula C25H25BrN2O4 and a molecular weight of 497.39 g/mol. Its IUPAC name is 4-[(4-bromophenyl)methoxy]-N-[[4-(ethylcarbamoyl)phenyl]methyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-[(4-bromophenyl)methoxy]-N-[[4-(ethylcarbamoyl)phenyl]methyl]-3-methoxybenzamide
PubChem CID112832760
Molecular FormulaC25H25BrN2O4
Molecular Weight497.39 g/mol
Exact Mass496.10
IUPAC Name4-[(4-bromophenyl)methoxy]-N-[[4-(ethylcarbamoyl)phenyl]methyl]-3-methoxybenzamide
SMILESCCNC(=O)c1ccc(CNC(=O)c2ccc(OCc3ccc(Br)cc3)c(OC)c2)cc1
InChIInChI=1S/C25H25BrN2O4/c1-3-27-24(29)19-8-4-17(5-9-19)15-28-25(30)20-10-13-22(23(14-20)31-2)32-16-18-6-11-21(26)12-7-18/h4-14H,3,15-16H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyAUCGOPSJZNNUPE-UHFFFAOYSA-N
XLogP4.72
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.39
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(4-bromophenyl)methyl]-3-methoxybenzamide
CID 104782310
4-[(4-bromophenyl)methoxy]-3-methoxybenzoate
CID 8706948
3-(difluoromethoxy)-N-[[4-(ethylcarbamoyl)phenyl]methyl]-4-methoxybenzamide
CID 87001161
4-[[4-bromo-2-[(dimethylamino)methyl]phenoxy]methyl]-N-[(3,4-dimethoxyphenyl)methyl]benzamide;hydrochloride
CID 11364861
N-ethyl-4-[[[4-(methoxymethyl)benzoyl]amino]methyl]benzamide
CID 86990014
4-bromo-N-[3-[(4-ethoxy-3-methoxyphenyl)methylamino]-3-oxopropyl]benzamide
CID 55659925
3-fluoro-4-methoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 8756994
4-bromo-N-[(4-bromophenyl)methyl]benzamide
CID 17384434
3-amino-N-[(4-bromophenyl)methyl]-4-ethoxybenzamide
CID 61090989
N-benzyl-3-ethoxy-4-phenylmethoxybenzamide
CID 2192321
N-[2-[[2-(4-bromophenyl)acetyl]amino]ethyl]-3,4-dimethoxybenzamide
CID 108935130
4-chloro-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide
CID 55745020

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)methoxy]-N-[[4-(ethylcarbamoyl)phenyl]methyl]-3-methoxybenzamide?
The IUPAC name of 4-[(4-bromophenyl)methoxy]-N-[[4-(ethylcarbamoyl)phenyl]methyl]-3-methoxybenzamide (CID 112832760) is 4-[(4-bromophenyl)methoxy]-N-[[4-(ethylcarbamoyl)phenyl]methyl]-3-methoxybenzamide.
What is the SMILES notation for 4-[(4-bromophenyl)methoxy]-N-[[4-(ethylcarbamoyl)phenyl]methyl]-3-methoxybenzamide?
The canonical SMILES for 4-[(4-bromophenyl)methoxy]-N-[[4-(ethylcarbamoyl)phenyl]methyl]-3-methoxybenzamide is CCNC(=O)c1ccc(CNC(=O)c2ccc(OCc3ccc(Br)cc3)c(OC)c2)cc1.
What is the InChIKey of 4-[(4-bromophenyl)methoxy]-N-[[4-(ethylcarbamoyl)phenyl]methyl]-3-methoxybenzamide?
The InChIKey is AUCGOPSJZNNUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25BrN2O4/c1-3-27-24(29)19-8-4-17(5-9-19)15-28-25(30)20-10-13-22(23(14-20)31-2)32-16-18-6-11-21(26)12-7-18/h4-14H,3,15-16H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of 4-[(4-bromophenyl)methoxy]-N-[[4-(ethylcarbamoyl)phenyl]methyl]-3-methoxybenzamide?
4-[(4-bromophenyl)methoxy]-N-[[4-(ethylcarbamoyl)phenyl]methyl]-3-methoxybenzamide has a molecular weight of 497.39 g/mol, XLogP of 4.72, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)methoxy]-N-[[4-(ethylcarbamoyl)phenyl]methyl]-3-methoxybenzamide is sourced from PubChem (CID 112832760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).