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

C16H15BrFNO2 — CID 60667390

IUPAC2-bromo-5-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1cccc(CN(C)C(=O)c2cc(F)ccc2Br)c1
InChIInChI=1S/C16H15BrFNO2/c1-19(10-11-4-3-5-13(8-11)21-2)16(20)14-9-12(18)6-7-15(14)17/h3-9H,10H2,1-2H3
InChIKeyQMWGUAYBAZREON-UHFFFAOYSA-N
MW352.20 g/mol
LogP3.87
Rot. Bonds4

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

2-bromo-5-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide (PubChem CID 60667390) has the molecular formula C16H15BrFNO2 and a molecular weight of 352.20 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
PubChem CID60667390
Molecular FormulaC16H15BrFNO2
Molecular Weight352.20 g/mol
Exact Mass351.03
IUPAC Name2-bromo-5-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1cccc(CN(C)C(=O)c2cc(F)ccc2Br)c1
InChIInChI=1S/C16H15BrFNO2/c1-19(10-11-4-3-5-13(8-11)21-2)16(20)14-9-12(18)6-7-15(14)17/h3-9H,10H2,1-2H3
InChIKeyQMWGUAYBAZREON-UHFFFAOYSA-N
XLogP3.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.20
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dibromo-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 114371373
2-bromo-N-[(3-bromophenyl)methyl]-5-fluoro-N-methylbenzamide
CID 60736552
2-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide
CID 18111776
3-bromo-2-chloro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 103975419
2-bromo-N-[(2,3-dimethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide
CID 18112106
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
2,5-dihydroxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 107722488
2-bromo-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxy-N-methylbenzamide
CID 39952387
2,5-difluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 86978699
(2-bromo-5-fluorophenyl)-(3-methoxyphenyl)methanone
CID 114962473
1-(2-bromo-4-fluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 61078965
N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyridine-3-carboxamide
CID 9112314

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide?
The IUPAC name of 2-bromo-5-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide (CID 60667390) is 2-bromo-5-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 2-bromo-5-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 2-bromo-5-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide is COc1cccc(CN(C)C(=O)c2cc(F)ccc2Br)c1.
What is the InChIKey of 2-bromo-5-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide?
The InChIKey is QMWGUAYBAZREON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO2/c1-19(10-11-4-3-5-13(8-11)21-2)16(20)14-9-12(18)6-7-15(14)17/h3-9H,10H2,1-2H3.
What are the key properties of 2-bromo-5-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide?
2-bromo-5-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide has a molecular weight of 352.20 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 60667390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).