2-bromo-N-[(2,3-dimethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide

C17H17BrFNO3 — CID 18112106

IUPAC2-bromo-N-[(2,3-dimethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide
SMILESCOc1cccc(CN(C)C(=O)c2cc(F)ccc2Br)c1OC
InChIInChI=1S/C17H17BrFNO3/c1-20(17(21)13-9-12(19)7-8-14(13)18)10-11-5-4-6-15(22-2)16(11)23-3/h4-9H,10H2,1-3H3
InChIKeySGOHGBXXLWIIDG-UHFFFAOYSA-N
MW382.23 g/mol
LogP3.88
Rot. Bonds5

About 2-bromo-N-[(2,3-dimethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide

2-bromo-N-[(2,3-dimethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide (PubChem CID 18112106) has the molecular formula C17H17BrFNO3 and a molecular weight of 382.23 g/mol. Its IUPAC name is 2-bromo-N-[(2,3-dimethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-[(2,3-dimethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide
PubChem CID18112106
Molecular FormulaC17H17BrFNO3
Molecular Weight382.23 g/mol
Exact Mass381.04
IUPAC Name2-bromo-N-[(2,3-dimethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide
SMILESCOc1cccc(CN(C)C(=O)c2cc(F)ccc2Br)c1OC
InChIInChI=1S/C17H17BrFNO3/c1-20(17(21)13-9-12(19)7-8-14(13)18)10-11-5-4-6-15(22-2)16(11)23-3/h4-9H,10H2,1-3H3
InChIKeySGOHGBXXLWIIDG-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

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Related Compounds

4-bromo-N-[(2,3-dimethoxyphenyl)methyl]-2-fluoro-N-methylbenzamide
CID 18112121
2-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide
CID 18111776
2-bromo-5-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 60667390
3-bromo-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 7718898
2,5-dichloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 18112013
5-fluoro-2-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 79882419
2-bromo-N-[(3-bromophenyl)methyl]-5-fluoro-N-methylbenzamide
CID 60736552
N-[(2,3-dimethoxyphenyl)methyl]-N,3,5-trimethylbenzamide
CID 7936275
1-(2-bromo-5-fluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 115800218
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyridine-3-carboxamide
CID 2525601
2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylfuran-3-carboxamide
CID 106685743
N-[(2,3-dimethoxyphenyl)methyl]-3-ethoxy-N-methylnaphthalene-2-carboxamide
CID 18131988

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2,3-dimethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide?
The IUPAC name of 2-bromo-N-[(2,3-dimethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide (CID 18112106) is 2-bromo-N-[(2,3-dimethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide.
What is the SMILES notation for 2-bromo-N-[(2,3-dimethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide?
The canonical SMILES for 2-bromo-N-[(2,3-dimethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide is COc1cccc(CN(C)C(=O)c2cc(F)ccc2Br)c1OC.
What is the InChIKey of 2-bromo-N-[(2,3-dimethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide?
The InChIKey is SGOHGBXXLWIIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO3/c1-20(17(21)13-9-12(19)7-8-14(13)18)10-11-5-4-6-15(22-2)16(11)23-3/h4-9H,10H2,1-3H3.
What are the key properties of 2-bromo-N-[(2,3-dimethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide?
2-bromo-N-[(2,3-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-[(2,3-dimethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide is sourced from PubChem (CID 18112106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).