3-bromo-N-[(2-fluorophenyl)methyl]-5-methoxy-N-methyl-4-phenylmethoxybenzamide

C23H21BrFNO3 — CID 4832181

IUPAC3-bromo-N-[(2-fluorophenyl)methyl]-5-methoxy-N-methyl-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)N(C)Cc2ccccc2F)cc(Br)c1OCc1ccccc1
InChIInChI=1S/C23H21BrFNO3/c1-26(14-17-10-6-7-11-20(17)25)23(27)18-12-19(24)22(21(13-18)28-2)29-15-16-8-4-3-5-9-16/h3-13H,14-15H2,1-2H3
InChIKeyGRUKYEXFEBQEOJ-UHFFFAOYSA-N
MW458.33 g/mol
LogP5.45
Rot. Bonds7

About 3-bromo-N-[(2-fluorophenyl)methyl]-5-methoxy-N-methyl-4-phenylmethoxybenzamide

3-bromo-N-[(2-fluorophenyl)methyl]-5-methoxy-N-methyl-4-phenylmethoxybenzamide (PubChem CID 4832181) has the molecular formula C23H21BrFNO3 and a molecular weight of 458.33 g/mol. Its IUPAC name is 3-bromo-N-[(2-fluorophenyl)methyl]-5-methoxy-N-methyl-4-phenylmethoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-[(2-fluorophenyl)methyl]-5-methoxy-N-methyl-4-phenylmethoxybenzamide
PubChem CID4832181
Molecular FormulaC23H21BrFNO3
Molecular Weight458.33 g/mol
Exact Mass457.07
IUPAC Name3-bromo-N-[(2-fluorophenyl)methyl]-5-methoxy-N-methyl-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)N(C)Cc2ccccc2F)cc(Br)c1OCc1ccccc1
InChIInChI=1S/C23H21BrFNO3/c1-26(14-17-10-6-7-11-20(17)25)23(27)18-12-19(24)22(21(13-18)28-2)29-15-16-8-4-3-5-9-16/h3-13H,14-15H2,1-2H3
InChIKeyGRUKYEXFEBQEOJ-UHFFFAOYSA-N
XLogP5.45
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.33
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-bromo-N-[(2-fluorophenyl)methyl]-5-methoxy-N-methyl-4-phenylmethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-fluorophenyl)methyl]-3,4,5-trimethoxy-N-methylbenzamide
CID 4780408
N-[(2-fluorophenyl)methyl]-N-methyl-3-phenylmethoxybenzamide
CID 30253357
3-bromo-4-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 103706385
N-benzyl-3,4,5-trimethoxy-N-methylbenzamide
CID 669607
3-bromo-5-methoxy-N-(3-methoxypropyl)-4-phenylmethoxybenzamide
CID 4602601
N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 60628244
4-bromo-3,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 17412285
3,5-difluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 78769060
3-bromo-4-ethoxy-N-[(4-ethoxyphenyl)methyl]-5-methoxy-N-methylbenzamide
CID 34865376
3-bromo-N-[(2-fluorophenyl)methyl]-5-methoxy-4-propoxybenzamide
CID 8869293
N-[[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-phenylethanamine
CID 4715760
3,5-dibromo-4-[(2-fluorophenyl)methoxy]benzoic acid
CID 8707072

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2-fluorophenyl)methyl]-5-methoxy-N-methyl-4-phenylmethoxybenzamide?
The IUPAC name of 3-bromo-N-[(2-fluorophenyl)methyl]-5-methoxy-N-methyl-4-phenylmethoxybenzamide (CID 4832181) is 3-bromo-N-[(2-fluorophenyl)methyl]-5-methoxy-N-methyl-4-phenylmethoxybenzamide.
What is the SMILES notation for 3-bromo-N-[(2-fluorophenyl)methyl]-5-methoxy-N-methyl-4-phenylmethoxybenzamide?
The canonical SMILES for 3-bromo-N-[(2-fluorophenyl)methyl]-5-methoxy-N-methyl-4-phenylmethoxybenzamide is COc1cc(C(=O)N(C)Cc2ccccc2F)cc(Br)c1OCc1ccccc1.
What is the InChIKey of 3-bromo-N-[(2-fluorophenyl)methyl]-5-methoxy-N-methyl-4-phenylmethoxybenzamide?
The InChIKey is GRUKYEXFEBQEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrFNO3/c1-26(14-17-10-6-7-11-20(17)25)23(27)18-12-19(24)22(21(13-18)28-2)29-15-16-8-4-3-5-9-16/h3-13H,14-15H2,1-2H3.
What are the key properties of 3-bromo-N-[(2-fluorophenyl)methyl]-5-methoxy-N-methyl-4-phenylmethoxybenzamide?
3-bromo-N-[(2-fluorophenyl)methyl]-5-methoxy-N-methyl-4-phenylmethoxybenzamide has a molecular weight of 458.33 g/mol, XLogP of 5.45, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(2-fluorophenyl)methyl]-5-methoxy-N-methyl-4-phenylmethoxybenzamide is sourced from PubChem (CID 4832181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).