2-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide

C17H17BrFNO3 — CID 18111776

IUPAC2-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide
SMILESCOc1ccc(CN(C)C(=O)c2cc(F)ccc2Br)c(OC)c1
InChIInChI=1S/C17H17BrFNO3/c1-20(17(21)14-8-12(19)5-7-15(14)18)10-11-4-6-13(22-2)9-16(11)23-3/h4-9H,10H2,1-3H3
InChIKeyXVYJWRUZONWIOY-UHFFFAOYSA-N
MW382.23 g/mol
LogP3.88
Rot. Bonds5

About 2-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide

2-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide (PubChem CID 18111776) has the molecular formula C17H17BrFNO3 and a molecular weight of 382.23 g/mol. Its IUPAC name is 2-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide
PubChem CID18111776
Molecular FormulaC17H17BrFNO3
Molecular Weight382.23 g/mol
Exact Mass381.04
IUPAC Name2-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide
SMILESCOc1ccc(CN(C)C(=O)c2cc(F)ccc2Br)c(OC)c1
InChIInChI=1S/C17H17BrFNO3/c1-20(17(21)14-8-12(19)5-7-15(14)18)10-11-4-6-13(22-2)9-16(11)23-3/h4-9H,10H2,1-3H3
InChIKeyXVYJWRUZONWIOY-UHFFFAOYSA-N
XLogP3.88
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.23
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide 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-[(2,4-dimethoxyphenyl)methyl]-4-fluoro-2-iodo-N-methylbenzamide
CID 39707721
2-bromo-N-[(2,3-dimethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide
CID 18112106
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxy-N-methylbenzamide
CID 18111734
2-bromo-5-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 60667390
N-[(2,4-dimethoxyphenyl)methyl]-2-ethoxy-N-methylbenzamide
CID 18111735
(2,4-dimethoxyphenyl)methyl-methylcarbamic acid
CID 115170960
5-fluoro-2-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 79882419
(2,4-dimethoxyphenyl)methyl-methylcarbamothioic S-acid
CID 115170104
2-(2-bromo-5-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanone
CID 114968175
2-(2-bromo-4-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanone
CID 114968000
N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 94687468
N-[(2-bromophenyl)methyl]-2-fluoro-4-methoxy-N-methylbenzamide
CID 55379395

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide?
The IUPAC name of 2-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide (CID 18111776) is 2-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide.
What is the SMILES notation for 2-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide?
The canonical SMILES for 2-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide is COc1ccc(CN(C)C(=O)c2cc(F)ccc2Br)c(OC)c1.
What is the InChIKey of 2-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide?
The InChIKey is XVYJWRUZONWIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO3/c1-20(17(21)14-8-12(19)5-7-15(14)18)10-11-4-6-13(22-2)9-16(11)23-3/h4-9H,10H2,1-3H3.
What are the key properties of 2-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide?
2-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide has a molecular weight of 382.23 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide is sourced from PubChem (CID 18111776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).