3-bromo-N-(4-ethylphenyl)-5-methoxy-4-[(4-methylphenyl)methoxy]benzamide

C24H24BrNO3 — CID 5178991

IUPAC3-bromo-N-(4-ethylphenyl)-5-methoxy-4-[(4-methylphenyl)methoxy]benzamide
SMILESCCc1ccc(NC(=O)c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)cc1
InChIInChI=1S/C24H24BrNO3/c1-4-17-9-11-20(12-10-17)26-24(27)19-13-21(25)23(22(14-19)28-3)29-15-18-7-5-16(2)6-8-18/h5-14H,4,15H2,1-3H3,(H,26,27)
InChIKeyQNRACCGUBBBMOX-UHFFFAOYSA-N
MW454.36 g/mol
LogP6.16
Rot. Bonds7

About 3-bromo-N-(4-ethylphenyl)-5-methoxy-4-[(4-methylphenyl)methoxy]benzamide

3-bromo-N-(4-ethylphenyl)-5-methoxy-4-[(4-methylphenyl)methoxy]benzamide (PubChem CID 5178991) has the molecular formula C24H24BrNO3 and a molecular weight of 454.36 g/mol. Its IUPAC name is 3-bromo-N-(4-ethylphenyl)-5-methoxy-4-[(4-methylphenyl)methoxy]benzamide.

Molecular Properties

Compound Name3-bromo-N-(4-ethylphenyl)-5-methoxy-4-[(4-methylphenyl)methoxy]benzamide
PubChem CID5178991
Molecular FormulaC24H24BrNO3
Molecular Weight454.36 g/mol
Exact Mass453.09
IUPAC Name3-bromo-N-(4-ethylphenyl)-5-methoxy-4-[(4-methylphenyl)methoxy]benzamide
SMILESCCc1ccc(NC(=O)c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)cc1
InChIInChI=1S/C24H24BrNO3/c1-4-17-9-11-20(12-10-17)26-24(27)19-13-21(25)23(22(14-19)28-3)29-15-18-7-5-16(2)6-8-18/h5-14H,4,15H2,1-3H3,(H,26,27)
InChIKeyQNRACCGUBBBMOX-UHFFFAOYSA-N
XLogP6.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.36
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(3-chloro-4-methylphenyl)-5-methoxy-4-[(4-methylphenyl)methoxy]benzamide
CID 5036494
3-bromo-4,5-diethoxy-N-(4-ethylphenyl)benzamide
CID 3960539
3-bromo-4-ethoxy-N-(4-iodophenyl)-5-methoxybenzamide
CID 3348893
3-chloro-N-(3,4-dichlorophenyl)-5-methoxy-4-[(4-methylphenyl)methoxy]benzamide
CID 3447717
N-(4-bromophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 16567430
3-bromo-N-(4-bromophenyl)-5-methoxy-4-propoxybenzamide
CID 5213088
methyl 3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxybenzoate
CID 91679930
3-bromo-4-ethoxy-5-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 7916758
3-bromo-N-(3,4-dimethylphenyl)-5-methoxy-4-propoxybenzamide
CID 5030458
3-bromo-5-methoxy-N-phenyl-4-propoxybenzamide
CID 3931758
N-(1,3-benzodioxol-5-yl)-3-bromo-5-methoxy-4-phenylmethoxybenzamide
CID 2471016
3-bromo-N-(4-tert-butylphenyl)-5-methoxy-4-propoxybenzamide
CID 7913907

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-ethylphenyl)-5-methoxy-4-[(4-methylphenyl)methoxy]benzamide?
The IUPAC name of 3-bromo-N-(4-ethylphenyl)-5-methoxy-4-[(4-methylphenyl)methoxy]benzamide (CID 5178991) is 3-bromo-N-(4-ethylphenyl)-5-methoxy-4-[(4-methylphenyl)methoxy]benzamide.
What is the SMILES notation for 3-bromo-N-(4-ethylphenyl)-5-methoxy-4-[(4-methylphenyl)methoxy]benzamide?
The canonical SMILES for 3-bromo-N-(4-ethylphenyl)-5-methoxy-4-[(4-methylphenyl)methoxy]benzamide is CCc1ccc(NC(=O)c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)cc1.
What is the InChIKey of 3-bromo-N-(4-ethylphenyl)-5-methoxy-4-[(4-methylphenyl)methoxy]benzamide?
The InChIKey is QNRACCGUBBBMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrNO3/c1-4-17-9-11-20(12-10-17)26-24(27)19-13-21(25)23(22(14-19)28-3)29-15-18-7-5-16(2)6-8-18/h5-14H,4,15H2,1-3H3,(H,26,27).
What are the key properties of 3-bromo-N-(4-ethylphenyl)-5-methoxy-4-[(4-methylphenyl)methoxy]benzamide?
3-bromo-N-(4-ethylphenyl)-5-methoxy-4-[(4-methylphenyl)methoxy]benzamide has a molecular weight of 454.36 g/mol, XLogP of 6.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-ethylphenyl)-5-methoxy-4-[(4-methylphenyl)methoxy]benzamide is sourced from PubChem (CID 5178991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).